N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide

C23H25ClN2O3 — CID 39512668

IUPACN-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-20(16)23(29)25-19-12-14-26(15-13-19)22(28)11-10-21(27)17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H,25,29)
InChIKeyUBWSKXLNSINGOF-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39512668) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39512668
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-20(16)23(29)25-19-12-14-26(15-13-19)22(28)11-10-21(27)17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H,25,29)
InChIKeyUBWSKXLNSINGOF-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide (CID 39512668) is N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is UBWSKXLNSINGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-20(16)23(29)25-19-12-14-26(15-13-19)22(28)11-10-21(27)17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H,25,29).
What are the key properties of N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.03, 6 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-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39512668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).