3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide

C25H29ClN2O3 — CID 108556580

IUPAC3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H29ClN2O3/c1-18-2-7-20(8-3-18)23(29)11-13-25(31)28-16-14-22(15-17-28)27-24(30)12-6-19-4-9-21(26)10-5-19/h2-5,7-10,22H,6,11-17H2,1H3,(H,27,30)
InChIKeyICEFXSGJAMNECG-UHFFFAOYSA-N
MW440.97 g/mol
LogP4.35
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide

3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (PubChem CID 108556580) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
PubChem CID108556580
Molecular FormulaC25H29ClN2O3
Molecular Weight440.97 g/mol
Exact Mass440.19
IUPAC Name3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H29ClN2O3/c1-18-2-7-20(8-3-18)23(29)11-13-25(31)28-16-14-22(15-17-28)27-24(30)12-6-19-4-9-21(26)10-5-19/h2-5,7-10,22H,6,11-17H2,1H3,(H,27,30)
InChIKeyICEFXSGJAMNECG-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
tert-butyl N-[3-[4-[3-(4-chlorophenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108556545

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (CID 108556580) is 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is Cc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The InChIKey is ICEFXSGJAMNECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O3/c1-18-2-7-20(8-3-18)23(29)11-13-25(31)28-16-14-22(15-17-28)27-24(30)12-6-19-4-9-21(26)10-5-19/h2-5,7-10,22H,6,11-17H2,1H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide has a molecular weight of 440.97 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).