1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate

C112H138N12O15S2 — CID 173233418

IUPAC1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate
SMILESC=CCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2.O=C(OC12CCN(CC1)C2)N(Cc1ccccc1)c1ccccc1.O=C(OC12CCN(CC1)CC2)N(Cc1ccccc1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1ccco1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C21H24N2O2.C20H22N2O2.C19H22N2O3.C18H22N2O4.C18H26N2O2S.C16H22N2O2S/c24-20(25-21-11-14-22(15-12-21)16-13-21)23(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18;23-19(24-20-11-13-21(16-20)14-12-20)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;22-19(24-18-14-20-10-8-15(18)9-11-20)21(13-17-7-4-12-23-17)16-5-2-1-3-6-16;21-18(24-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16;21-18(22-17-13-19-9-7-14(17)8-10-19)20(15-4-1-2-5-15)12-16-6-3-11-23-16;1-2-7-18(11-14-4-3-10-21-14)16(19)20-15-12-17-8-5-13(15)6-9-17/h1-10H,11-17H2;1-10H,11-16H2;1-7,12,15,18H,8-11,13-14H2;1-4,9-10,14,17H,5-8,11-13H2;3,6,11,14-15,17H,1-2,4-5,7-10,12-13H2;2-4,10,13,15H,1,5-9,11-12H2/t;;18-;2*17-;15-/m..0000/s1
InChIKeyVROUOKHMRYCFAR-JKZZWLNYSA-N
MW1956.54 g/mol
LogP21.06
Rot. Bonds26

About 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate

1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 173233418) has the molecular formula C112H138N12O15S2 and a molecular weight of 1956.54 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID173233418
Molecular FormulaC112H138N12O15S2
Molecular Weight1956.54 g/mol
Exact Mass1954.98
IUPAC Name1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate
SMILESC=CCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2.O=C(OC12CCN(CC1)C2)N(Cc1ccccc1)c1ccccc1.O=C(OC12CCN(CC1)CC2)N(Cc1ccccc1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1ccco1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C21H24N2O2.C20H22N2O2.C19H22N2O3.C18H22N2O4.C18H26N2O2S.C16H22N2O2S/c24-20(25-21-11-14-22(15-12-21)16-13-21)23(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18;23-19(24-20-11-13-21(16-20)14-12-20)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;22-19(24-18-14-20-10-8-15(18)9-11-20)21(13-17-7-4-12-23-17)16-5-2-1-3-6-16;21-18(24-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16;21-18(22-17-13-19-9-7-14(17)8-10-19)20(15-4-1-2-5-15)12-16-6-3-11-23-16;1-2-7-18(11-14-4-3-10-21-14)16(19)20-15-12-17-8-5-13(15)6-9-17/h1-10H,11-17H2;1-10H,11-16H2;1-7,12,15,18H,8-11,13-14H2;1-4,9-10,14,17H,5-8,11-13H2;3,6,11,14-15,17H,1-2,4-5,7-10,12-13H2;2-4,10,13,15H,1,5-9,11-12H2/t;;18-;2*17-;15-/m..0000/s1
InChIKeyVROUOKHMRYCFAR-JKZZWLNYSA-N
XLogP21.06
TPSA236.10 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.54
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate (CID 173233418) is 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate is C=CCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2.O=C(OC12CCN(CC1)C2)N(Cc1ccccc1)c1ccccc1.O=C(OC12CCN(CC1)CC2)N(Cc1ccccc1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1ccco1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is VROUOKHMRYCFAR-JKZZWLNYSA-N. The full InChI is InChI=1S/C21H24N2O2.C20H22N2O2.C19H22N2O3.C18H22N2O4.C18H26N2O2S.C16H22N2O2S/c24-20(25-21-11-14-22(15-12-21)16-13-21)23(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18;23-19(24-20-11-13-21(16-20)14-12-20)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;22-19(24-18-14-20-10-8-15(18)9-11-20)21(13-17-7-4-12-23-17)16-5-2-1-3-6-16;21-18(24-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16;21-18(22-17-13-19-9-7-14(17)8-10-19)20(15-4-1-2-5-15)12-16-6-3-11-23-16;1-2-7-18(11-14-4-3-10-21-14)16(19)20-15-12-17-8-5-13(15)6-9-17/h1-10H,11-17H2;1-10H,11-16H2;1-7,12,15,18H,8-11,13-14H2;1-4,9-10,14,17H,5-8,11-13H2;3,6,11,14-15,17H,1-2,4-5,7-10,12-13H2;2-4,10,13,15H,1,5-9,11-12H2/t;;18-;2*17-;15-/m..0000/s1.
What are the key properties of 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate?
1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 1956.54 g/mol, XLogP of 21.06, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-4-yl N-benzyl-N-phenylcarbamate;1-azabicyclo[2.2.2]octan-4-yl N-benzyl-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(furan-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-cyclopentyl-N-(thiophen-2-ylmethyl)carbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-prop-2-enyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 173233418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).