N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C20H22Cl2N2O — CID 43918749

IUPACN-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-9-8-16(19(22)11-18)13-24-10-4-7-17(14-24)20(25)23-12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,23,25)
InChIKeyMCRZYBZCQSGTFA-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.52
Rot. Bonds5

About N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918749) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.31 g/mol. Its IUPAC name is N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43918749
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.31 g/mol
Exact Mass376.11
IUPAC NameN-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-9-8-16(19(22)11-18)13-24-10-4-7-17(14-24)20(25)23-12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,23,25)
InChIKeyMCRZYBZCQSGTFA-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(2S)-N-benzyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 100778040
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43918749) is N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MCRZYBZCQSGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-18-9-8-16(19(22)11-18)13-24-10-4-7-17(14-24)20(25)23-12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,23,25).
What are the key properties of N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 377.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).