tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate

C19H29N3O4 — CID 96538034

IUPACtert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-8-15(13-22)20-14-6-9-21(10-7-14)17(23)16-5-4-12-25-16/h4-5,12,14-15,20H,6-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPHPHFYDGVWQISE-OAHLLOKOSA-N
MW363.46 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate (PubChem CID 96538034) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
PubChem CID96538034
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-8-15(13-22)20-14-6-9-21(10-7-14)17(23)16-5-4-12-25-16/h4-5,12,14-15,20H,6-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPHPHFYDGVWQISE-OAHLLOKOSA-N
XLogP2.48
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
tert-butyl (3R)-3-[[[2-(furan-2-yl)-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97171234
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
CID 168527057
tert-butyl (3S)-3-[2-(furan-2-yl)-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 71629342
tert-butyl 3-[[4-(2-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 21187676
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 81338126
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate (CID 96538034) is tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate?
The InChIKey is PHPHFYDGVWQISE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-8-15(13-22)20-14-6-9-21(10-7-14)17(23)16-5-4-12-25-16/h4-5,12,14-15,20H,6-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 96538034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).