N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide

C25H30N2O3 — CID 55707534

IUPACN-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1
InChIInChI=1S/C25H30N2O3/c1-17(2)15-19-7-9-20(10-8-19)24(29)21-11-13-27(14-12-21)25(30)22-5-4-6-23(16-22)26-18(3)28/h4-10,16-17,21H,11-15H2,1-3H3,(H,26,28)
InChIKeyWLZHRWIGDXJQGG-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.58
Rot. Bonds6

About N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide

N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 55707534) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID55707534
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1
InChIInChI=1S/C25H30N2O3/c1-17(2)15-19-7-9-20(10-8-19)24(29)21-11-13-27(14-12-21)25(30)22-5-4-6-23(16-22)26-18(3)28/h4-10,16-17,21H,11-15H2,1-3H3,(H,26,28)
InChIKeyWLZHRWIGDXJQGG-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
tert-butyl N-[3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 60552319
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide (CID 55707534) is N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is WLZHRWIGDXJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17(2)15-19-7-9-20(10-8-19)24(29)21-11-13-27(14-12-21)25(30)22-5-4-6-23(16-22)26-18(3)28/h4-10,16-17,21H,11-15H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide?
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 55707534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).