piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone

C23H32N4O — CID 58123520

IUPACpiperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone
SMILESCn1cnc2cc3c(cc21)[C@]1(C)CCN(C(=O)N2CCCCC2)[C@H](C3)C1(C)C
InChIInChI=1S/C23H32N4O/c1-22(2)20-13-16-12-18-19(25(4)15-24-18)14-17(16)23(22,3)8-11-27(20)21(28)26-9-6-5-7-10-26/h12,14-15,20H,5-11,13H2,1-4H3/t20-,23+/m1/s1
InChIKeyRFJWJSKJTOYVKO-OFNKIYASSA-N
MW380.54 g/mol
LogP4.09
Rot. Bonds

About piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone

piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone (PubChem CID 58123520) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone
PubChem CID58123520
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Namepiperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone
SMILESCn1cnc2cc3c(cc21)[C@]1(C)CCN(C(=O)N2CCCCC2)[C@H](C3)C1(C)C
InChIInChI=1S/C23H32N4O/c1-22(2)20-13-16-12-18-19(25(4)15-24-18)14-17(16)23(22,3)8-11-27(20)21(28)26-9-6-5-7-10-26/h12,14-15,20H,5-11,13H2,1-4H3/t20-,23+/m1/s1
InChIKeyRFJWJSKJTOYVKO-OFNKIYASSA-N
XLogP4.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone?
The IUPAC name of piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone (CID 58123520) is piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone is Cn1cnc2cc3c(cc21)[C@]1(C)CCN(C(=O)N2CCCCC2)[C@H](C3)C1(C)C.
What is the InChIKey of piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone?
The InChIKey is RFJWJSKJTOYVKO-OFNKIYASSA-N. The full InChI is InChI=1S/C23H32N4O/c1-22(2)20-13-16-12-18-19(25(4)15-24-18)14-17(16)23(22,3)8-11-27(20)21(28)26-9-6-5-7-10-26/h12,14-15,20H,5-11,13H2,1-4H3/t20-,23+/m1/s1.
What are the key properties of piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone?
piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone has a molecular weight of 380.54 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(1S,12R)-1,5,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]methanone is sourced from PubChem (CID 58123520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).