5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

C29H34N4O3 — CID 1067260

IUPAC5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C29H34N4O3/c1-21-15-18-33(19-16-21)27-13-10-24(32-29(35)31-23-8-11-25(36-2)12-9-23)20-26(27)28(34)30-17-14-22-6-4-3-5-7-22/h3-13,20-21H,14-19H2,1-2H3,(H,30,34)(H2,31,32,35)
InChIKeyULRRIWAQPKEUBG-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.55
Rot. Bonds8

About 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 1067260) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID1067260
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C29H34N4O3/c1-21-15-18-33(19-16-21)27-13-10-24(32-29(35)31-23-8-11-25(36-2)12-9-23)20-26(27)28(34)30-17-14-22-6-4-3-5-7-22/h3-13,20-21H,14-19H2,1-2H3,(H,30,34)(H2,31,32,35)
InChIKeyULRRIWAQPKEUBG-UHFFFAOYSA-N
XLogP5.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067247
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1065465
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3557772
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5188732
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42753386
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42757099
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 4588005
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 42660840

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (CID 1067260) is 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is COc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is ULRRIWAQPKEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-21-15-18-33(19-16-21)27-13-10-24(32-29(35)31-23-8-11-25(36-2)12-9-23)20-26(27)28(34)30-17-14-22-6-4-3-5-7-22/h3-13,20-21H,14-19H2,1-2H3,(H,30,34)(H2,31,32,35).
What are the key properties of 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 486.62 g/mol, XLogP of 5.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1067260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).