2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide

C20H28N2O2 — CID 58656288

IUPAC2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2)C1)C1CC2CC1CCC2O
InChIInChI=1S/C20H28N2O2/c23-19-9-8-14-11-15(19)12-18(14)20(24)21-16-5-4-10-22(13-16)17-6-2-1-3-7-17/h1-3,6-7,14-16,18-19,23H,4-5,8-13H2,(H,21,24)/t14?,15?,16-,18?,19?/m0/s1
InChIKeyBUEHEYGMEVWJPW-YYSDWXCKSA-N
MW328.46 g/mol
LogP2.57
Rot. Bonds3

About 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide

2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide (PubChem CID 58656288) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
PubChem CID58656288
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2)C1)C1CC2CC1CCC2O
InChIInChI=1S/C20H28N2O2/c23-19-9-8-14-11-15(19)12-18(14)20(24)21-16-5-4-10-22(13-16)17-6-2-1-3-7-17/h1-3,6-7,14-16,18-19,23H,4-5,8-13H2,(H,21,24)/t14?,15?,16-,18?,19?/m0/s1
InChIKeyBUEHEYGMEVWJPW-YYSDWXCKSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(1-phenylpiperidin-3-yl)urea
CID 121416777
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119888760
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 120941945
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide (CID 58656288) is 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide is O=C(N[C@H]1CCCN(c2ccccc2)C1)C1CC2CC1CCC2O.
What is the InChIKey of 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is BUEHEYGMEVWJPW-YYSDWXCKSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-9-8-14-11-15(19)12-18(14)20(24)21-16-5-4-10-22(13-16)17-6-2-1-3-7-17/h1-3,6-7,14-16,18-19,23H,4-5,8-13H2,(H,21,24)/t14?,15?,16-,18?,19?/m0/s1.
What are the key properties of 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide?
2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 58656288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).