3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C25H31N3O2 — CID 58656314

IUPAC3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccc(-c3ccccc3)cc2)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C25H31N3O2/c29-24-15-22-12-13-23(16-24)28(22)25(30)26-20-7-4-14-27(17-20)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22-24,29H,4,7,12-17H2,(H,26,30)/t20-,22?,23?,24?/m0/s1
InChIKeyMFVMDZUTTGQLOP-CSYFQHLCSA-N
MW405.54 g/mol
LogP4.02
Rot. Bonds3

About 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 58656314) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID58656314
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccc(-c3ccccc3)cc2)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C25H31N3O2/c29-24-15-22-12-13-23(16-24)28(22)25(30)26-20-7-4-14-27(17-20)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22-24,29H,4,7,12-17H2,(H,26,30)/t20-,22?,23?,24?/m0/s1
InChIKeyMFVMDZUTTGQLOP-CSYFQHLCSA-N
XLogP4.02
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

(1S,5R)-N-[(3S)-1-(4-aminophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68873576
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(1-phenylpiperidin-3-yl)urea
CID 121416777
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
CID 58656288
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
N-[(3S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 58656156

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 58656314) is 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(N[C@H]1CCCN(c2ccc(-c3ccccc3)cc2)C1)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is MFVMDZUTTGQLOP-CSYFQHLCSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24-15-22-12-13-23(16-24)28(22)25(30)26-20-7-4-14-27(17-20)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22-24,29H,4,7,12-17H2,(H,26,30)/t20-,22?,23?,24?/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S)-1-(4-phenylphenyl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 58656314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).