1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide

C23H30N2O3 — CID 98512410

IUPAC1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C23H30N2O3/c26-20(24-19-4-2-1-3-5-19)18-6-8-25(9-7-18)21(27)22-11-16-10-17(12-22)14-23(28,13-16)15-22/h1-5,16-18,28H,6-15H2,(H,24,26)/t16-,17-,22?,23?/m1/s1
InChIKeySUNMHLLCAXAPGL-TWVWUCKLSA-N
MW382.50 g/mol
LogP3.19
Rot. Bonds3

About 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 98512410) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID98512410
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C23H30N2O3/c26-20(24-19-4-2-1-3-5-19)18-6-8-25(9-7-18)21(27)22-11-16-10-17(12-22)14-23(28,13-16)15-22/h1-5,16-18,28H,6-15H2,(H,24,26)/t16-,17-,22?,23?/m1/s1
InChIKeySUNMHLLCAXAPGL-TWVWUCKLSA-N
XLogP3.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 27745511
azepan-1-yl-[1-[(5S,7S)-3-phenyladamantane-1-carbonyl]piperidin-4-yl]methanone
CID 98537815
[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 51589067
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510430
1-(3-bromoadamantane-1-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134041991
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 98512410) is 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1.
What is the InChIKey of 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is SUNMHLLCAXAPGL-TWVWUCKLSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-20(24-19-4-2-1-3-5-19)18-6-8-25(9-7-18)21(27)22-11-16-10-17(12-22)14-23(28,13-16)15-22/h1-5,16-18,28H,6-15H2,(H,24,26)/t16-,17-,22?,23?/m1/s1.
What are the key properties of 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 98512410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).