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

C28H30N2O2 — CID 108556350

IUPAC3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H30N2O2/c1-21-7-9-22(10-8-21)11-16-27(31)29-26-17-19-30(20-18-26)28(32)25-14-12-24(13-15-25)23-5-3-2-4-6-23/h2-10,12-15,26H,11,16-20H2,1H3,(H,29,31)
InChIKeyWTDKBKBDZLCFDZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.02
Rot. Bonds6

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

3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide (PubChem CID 108556350) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
PubChem CID108556350
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H30N2O2/c1-21-7-9-22(10-8-21)11-16-27(31)29-26-17-19-30(20-18-26)28(32)25-14-12-24(13-15-25)23-5-3-2-4-6-23/h2-10,12-15,26H,11,16-20H2,1H3,(H,29,31)
InChIKeyWTDKBKBDZLCFDZ-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
3-(4-methylphenyl)-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544301
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide (CID 108556350) is 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide is Cc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide?
The InChIKey is WTDKBKBDZLCFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-21-7-9-22(10-8-21)11-16-27(31)29-26-17-19-30(20-18-26)28(32)25-14-12-24(13-15-25)23-5-3-2-4-6-23/h2-10,12-15,26H,11,16-20H2,1H3,(H,29,31).
What are the key properties of 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide?
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide has a molecular weight of 426.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108556350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).