4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide

C23H28N2O3 — CID 86927572

IUPAC4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(7-8-18-9-11-21(26)12-10-18)24-23(28)25-15-13-20(14-16-25)22(27)19-5-3-2-4-6-19/h2-6,9-12,17,20,26H,7-8,13-16H2,1H3,(H,24,28)
InChIKeySHPZHOFAFOKTEK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds6

About 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide

4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 86927572) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
PubChem CID86927572
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(7-8-18-9-11-21(26)12-10-18)24-23(28)25-15-13-20(14-16-25)22(27)19-5-3-2-4-6-19/h2-6,9-12,17,20,26H,7-8,13-16H2,1H3,(H,24,28)
InChIKeySHPZHOFAFOKTEK-UHFFFAOYSA-N
XLogP4.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
4-(4-hydroxybenzoyl)-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 86960523
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide (CID 86927572) is 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is SHPZHOFAFOKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(7-8-18-9-11-21(26)12-10-18)24-23(28)25-15-13-20(14-16-25)22(27)19-5-3-2-4-6-19/h2-6,9-12,17,20,26H,7-8,13-16H2,1H3,(H,24,28).
What are the key properties of 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide?
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86927572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).