1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide

C21H24ClN3O2 — CID 72704650

IUPAC1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-23-20(26)17-9-11-25(12-10-17)14-15-3-2-4-19(13-15)24-21(27)16-5-7-18(22)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCULVDHVSSDHIGO-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.55
Rot. Bonds5

About 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide

1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 72704650) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID72704650
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-23-20(26)17-9-11-25(12-10-17)14-15-3-2-4-19(13-15)24-21(27)16-5-7-18(22)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCULVDHVSSDHIGO-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 72704650) is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CULVDHVSSDHIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-23-20(26)17-9-11-25(12-10-17)14-15-3-2-4-19(13-15)24-21(27)16-5-7-18(22)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72704650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).