(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide

C23H24N4O — CID 58078619

IUPAC(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1n1ccc2cnc3c(c21)C=CC3
InChIInChI=1S/C23H24N4O/c1-16-10-12-26(23(28)25-18-6-3-2-4-7-18)15-21(16)27-13-11-17-14-24-20-9-5-8-19(20)22(17)27/h2-8,11,13-14,16,21H,9-10,12,15H2,1H3,(H,25,28)/t16-,21+/m1/s1
InChIKeyOEONHBKZOCCPGP-IERDGZPVSA-N
MW372.47 g/mol
LogP4.72
Rot. Bonds2

About (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide

(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide (PubChem CID 58078619) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide
PubChem CID58078619
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1n1ccc2cnc3c(c21)C=CC3
InChIInChI=1S/C23H24N4O/c1-16-10-12-26(23(28)25-18-6-3-2-4-7-18)15-21(16)27-13-11-17-14-24-20-9-5-8-19(20)22(17)27/h2-8,11,13-14,16,21H,9-10,12,15H2,1H3,(H,25,28)/t16-,21+/m1/s1
InChIKeyOEONHBKZOCCPGP-IERDGZPVSA-N
XLogP4.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-[(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylpiperidin-1-yl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-1-one
CID 58078604
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(4-tert-butylcyclohexyl)-(4-methyl-3-pyrrolo[2,3-h][1,6]naphthyridin-1-ylpiperidin-1-yl)methanone
CID 141355615
(3R,4R)-4-methyl-3-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 142770021
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
tert-butyl (3R,4R)-4-methyl-3-[10-(2-trimethylsilylethoxymethyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidine-1-carboxylate
CID 58078504
1-[4-methyl-3-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 77397480
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide (CID 58078619) is (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide is C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1n1ccc2cnc3c(c21)C=CC3.
What is the InChIKey of (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is OEONHBKZOCCPGP-IERDGZPVSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-10-12-26(23(28)25-18-6-3-2-4-7-18)15-21(16)27-13-11-17-14-24-20-9-5-8-19(20)22(17)27/h2-8,11,13-14,16,21H,9-10,12,15H2,1H3,(H,25,28)/t16-,21+/m1/s1.
What are the key properties of (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide?
(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 58078619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).