N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

C29H34N4O2 — CID 42753386

IUPACN-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccccc3)c2)cc1C
InChIInChI=1S/C29H34N4O2/c1-20-13-15-33(16-14-20)27-12-11-25(32-29(35)31-24-10-9-21(2)22(3)17-24)18-26(27)28(34)30-19-23-7-5-4-6-8-23/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyRSZZHXPFEJUJJR-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.11
Rot. Bonds6

About N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 42753386) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID42753386
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccccc3)c2)cc1C
InChIInChI=1S/C29H34N4O2/c1-20-13-15-33(16-14-20)27-12-11-25(32-29(35)31-24-10-9-21(2)22(3)17-24)18-26(27)28(34)30-19-23-7-5-4-6-8-23/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyRSZZHXPFEJUJJR-UHFFFAOYSA-N
XLogP6.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.11
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-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1064769
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067247
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1064756
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066972
N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1067391
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (CID 42753386) is N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is Cc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCc3ccccc3)c2)cc1C.
What is the InChIKey of N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is RSZZHXPFEJUJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-20-13-15-33(16-14-20)27-12-11-25(32-29(35)31-24-10-9-21(2)22(3)17-24)18-26(27)28(34)30-19-23-7-5-4-6-8-23/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,30,34)(H2,31,32,35).
What are the key properties of N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 6.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 42753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).