N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide

C22H25ClN2O2 — CID 10271391

IUPACN-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide
SMILESO=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,27)
InChIKeyYNOKKGMRQZMPDA-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.20
Rot. Bonds7

About N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide

N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide (PubChem CID 10271391) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide
PubChem CID10271391
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide
SMILESO=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,27)
InChIKeyYNOKKGMRQZMPDA-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24752728
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
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CID 65659
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
Jnj-63533054
CID 2548547
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
4-Chloro-N-phenethylbenzamide
CID 306479
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide (CID 10271391) is N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide is O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide?
The InChIKey is YNOKKGMRQZMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,27).
What are the key properties of N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide?
N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 10271391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).