[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

C24H29NO2 — CID 55707739

IUPAC[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1
InChIInChI=1S/C24H29NO2/c1-17(2)15-19-7-9-20(10-8-19)23(26)21-11-13-25(14-12-21)24(27)22-6-4-5-18(3)16-22/h4-10,16-17,21H,11-15H2,1-3H3
InChIKeyWEVKOZKBXVXMGG-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.93
Rot. Bonds5

About [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 55707739) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID55707739
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1
InChIInChI=1S/C24H29NO2/c1-17(2)15-19-7-9-20(10-8-19)23(26)21-11-13-25(14-12-21)24(27)22-6-4-5-18(3)16-22/h4-10,16-17,21H,11-15H2,1-3H3
InChIKeyWEVKOZKBXVXMGG-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
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
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759
[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
[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
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 113005476
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 78899968

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 55707739) is [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1.
What is the InChIKey of [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is WEVKOZKBXVXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17(2)15-19-7-9-20(10-8-19)23(26)21-11-13-25(14-12-21)24(27)22-6-4-5-18(3)16-22/h4-10,16-17,21H,11-15H2,1-3H3.
What are the key properties of [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 363.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 55707739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).