N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

C29H36N2O — CID 51109926

IUPACN-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C29H36N2O/c32-27(30-26-11-13-31(14-12-26)20-22-7-3-1-4-8-22)29-18-23-15-24(19-29)17-28(16-23,21-29)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)
InChIKeyOLLXRRVKVDQNML-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.31
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide (PubChem CID 51109926) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
PubChem CID51109926
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C29H36N2O/c32-27(30-26-11-13-31(14-12-26)20-22-7-3-1-4-8-22)29-18-23-15-24(19-29)17-28(16-23,21-29)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)
InChIKeyOLLXRRVKVDQNML-UHFFFAOYSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-Phenyl-1'-(phenylmethyl)(3,4'-bipiperidine)-2,6-dione
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CID 54765328
Banyu CPTP
CID 11039424
N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
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2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-isobutyramide
CID 21955222
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide
CID 22293475
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide (CID 51109926) is N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
The InChIKey is OLLXRRVKVDQNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c32-27(30-26-11-13-31(14-12-26)20-22-7-3-1-4-8-22)29-18-23-15-24(19-29)17-28(16-23,21-29)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide has a molecular weight of 428.62 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 51109926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).