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

C24H33N3O — CID 58124009

IUPACpiperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone
SMILESCC1=Nc2cc3c(cc2C1)C[C@H]1N(C(=O)N2CCCCC2)CC[C@]3(C)C1(C)C
InChIInChI=1S/C24H33N3O/c1-16-12-18-13-17-14-21-23(2,3)24(4,19(17)15-20(18)25-16)8-11-27(21)22(28)26-9-6-5-7-10-26/h13,15,21H,5-12,14H2,1-4H3/t21-,24+/m1/s1
InChIKeyUKZSVOYQKBPORY-QPPBQGQZSA-N
MW379.55 g/mol
LogP4.86
Rot. Bonds

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

piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone (PubChem CID 58124009) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone
PubChem CID58124009
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Namepiperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone
SMILESCC1=Nc2cc3c(cc2C1)C[C@H]1N(C(=O)N2CCCCC2)CC[C@]3(C)C1(C)C
InChIInChI=1S/C24H33N3O/c1-16-12-18-13-17-14-21-23(2,3)24(4,19(17)15-20(18)25-16)8-11-27(21)22(28)26-9-6-5-7-10-26/h13,15,21H,5-12,14H2,1-4H3/t21-,24+/m1/s1
InChIKeyUKZSVOYQKBPORY-QPPBQGQZSA-N
XLogP4.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(1S,12S)-6-cyclopropyl-1,16,16-trimethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]-piperidin-1-ylmethanone
CID 58123493
1-[(1R,9S)-1,13,13-trimethyl-10-(piperidine-1-carbonyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]ethanone
CID 154380759
[(1R,9S)-5-methoxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-piperidin-1-ylmethanone
CID 58123559
(1S,9S)-1,13,13-trimethyl-10-(piperidine-1-carbonyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-6-carbonitrile
CID 58123558
ethyl 1-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]piperidine-3-carboxylate
CID 58123916
tert-butyl (1S,9R)-4-methoxy-1,5,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carboxylate
CID 58123547
N'-amino-1-(6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl)piperidine-3-carboximidamide
CID 143847423
(4-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-(3H-indol-5-yl)methanone
CID 58374960
3H-indol-5-yl-[(1S,13R)-1,6,7,17,17-pentamethyl-5,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaen-14-yl]methanone
CID 58375200
3H-indol-5-yl-[(1S,9S)-4-methoxy-1,5,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58375306
1-[(1S,12R)-6-cyclopropyl-1,16,16-trimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]-2,2,2-trifluoroethanone
CID 58375234
[3-ethynyl-4-(pyrrolidine-1-carbonyl)phenyl]-[(9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 143805243

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone?
The IUPAC name of piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone (CID 58124009) is piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone is CC1=Nc2cc3c(cc2C1)C[C@H]1N(C(=O)N2CCCCC2)CC[C@]3(C)C1(C)C.
What is the InChIKey of piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone?
The InChIKey is UKZSVOYQKBPORY-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H33N3O/c1-16-12-18-13-17-14-21-23(2,3)24(4,19(17)15-20(18)25-16)8-11-27(21)22(28)26-9-6-5-7-10-26/h13,15,21H,5-12,14H2,1-4H3/t21-,24+/m1/s1.
What are the key properties of piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone?
piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone has a molecular weight of 379.55 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(1S,12R)-1,6,16,16-tetramethyl-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone is sourced from PubChem (CID 58124009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).