[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

C24H30N2O2 — CID 120623759

IUPAC[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-16(2)14-18-5-7-19(8-6-18)23(27)20-10-12-26(13-11-20)24(28)22-15-21(25)9-4-17(22)3/h4-9,15-16,20H,10-14,25H2,1-3H3
InChIKeySYJNKJAXHVXEGD-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.51
Rot. Bonds5

About [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 120623759) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID120623759
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-16(2)14-18-5-7-19(8-6-18)23(27)20-10-12-26(13-11-20)24(28)22-15-21(25)9-4-17(22)3/h4-9,15-16,20H,10-14,25H2,1-3H3
InChIKeySYJNKJAXHVXEGD-UHFFFAOYSA-N
XLogP4.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 120624806
[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 120623759) is [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is Cc1ccc(N)cc1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is SYJNKJAXHVXEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(2)14-18-5-7-19(8-6-18)23(27)20-10-12-26(13-11-20)24(28)22-15-21(25)9-4-17(22)3/h4-9,15-16,20H,10-14,25H2,1-3H3.
What are the key properties of [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 120623759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).