1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

C22H26N2O2 — CID 1004009

IUPAC1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-16(2)23-21(25)19-12-14-24(15-13-19)22(26)20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyDXGBRMMVMSHZOA-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 1004009) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID1004009
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-16(2)23-21(25)19-12-14-24(15-13-19)22(26)20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,25)
InChIKeyDXGBRMMVMSHZOA-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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AR-M1000390
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N,N'-dibenzoylpiperazine
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Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
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N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
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4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
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ChiRYun
CID 389617
N-4-Piperidylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 1004009) is 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DXGBRMMVMSHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)23-21(25)19-12-14-24(15-13-19)22(26)20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1004009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).