N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

C25H32N4O2 — CID 1067391

IUPACN-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C25H32N4O2/c1-16-11-13-29(14-12-16)22-10-9-20(15-21(22)24(30)26-19-7-8-19)27-25(31)28-23-17(2)5-4-6-18(23)3/h4-6,9-10,15-16,19H,7-8,11-14H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyFHORSTSQAKFNAA-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.08
Rot. Bonds5

About N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 1067391) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID1067391
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C25H32N4O2/c1-16-11-13-29(14-12-16)22-10-9-20(15-21(22)24(30)26-19-7-8-19)27-25(31)28-23-17(2)5-4-6-18(23)3/h4-6,9-10,15-16,19H,7-8,11-14H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyFHORSTSQAKFNAA-UHFFFAOYSA-N
XLogP5.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 3262158
N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42753386
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
5-[(2,6-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4267155
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)benzamide
CID 4691013
1-(2,6-dichlorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054434
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (CID 1067391) is N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is Cc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is FHORSTSQAKFNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16-11-13-29(14-12-16)22-10-9-20(15-21(22)24(30)26-19-7-8-19)27-25(31)28-23-17(2)5-4-6-18(23)3/h4-6,9-10,15-16,19H,7-8,11-14H2,1-3H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 1067391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).