3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide

C20H23ClN4O2 — CID 47818113

IUPAC3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN4O2/c21-16-7-4-14(5-8-16)13-23-20(27)24-17-12-15(19(22)26)6-9-18(17)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H2,23,24,27)
InChIKeyVXOQATVFWKHOKJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.75
Rot. Bonds5

About 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide

3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 47818113) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
PubChem CID47818113
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN4O2/c21-16-7-4-14(5-8-16)13-23-20(27)24-17-12-15(19(22)26)6-9-18(17)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H2,23,24,27)
InChIKeyVXOQATVFWKHOKJ-UHFFFAOYSA-N
XLogP3.75
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide 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

3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 48768021
3-[(4-chlorophenyl)carbamoylamino]-N-[(4-propan-2-ylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348896
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47075949
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818496
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
methyl 3-[(3,5-difluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate
CID 55698536
ethyl 2-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]acetate
CID 20964866
2-chloro-N-[3-[(4-fluorophenyl)methylcarbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 50783204
3-[[2-(4-nitrophenyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269411
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide (CID 47818113) is 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is VXOQATVFWKHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-7-4-14(5-8-16)13-23-20(27)24-17-12-15(19(22)26)6-9-18(17)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H2,23,24,27).
What are the key properties of 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 47818113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).