N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide

C21H26ClN3O — CID 20885847

IUPACN-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-24(16-18-8-5-9-19(22)14-18)20-10-12-25(13-11-20)21(26)23-15-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyOPRKXLIPZZSQKX-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.15
Rot. Bonds5

About N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide

N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide (PubChem CID 20885847) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide
PubChem CID20885847
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-24(16-18-8-5-9-19(22)14-18)20-10-12-25(13-11-20)21(26)23-15-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyOPRKXLIPZZSQKX-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide (CID 20885847) is N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide is CN(Cc1cccc(Cl)c1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide?
The InChIKey is OPRKXLIPZZSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-24(16-18-8-5-9-19(22)14-18)20-10-12-25(13-11-20)21(26)23-15-17-6-3-2-4-7-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26).
What are the key properties of N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide?
N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3-chlorophenyl)methyl-methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 20885847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).