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

C19H19Cl3N2O — CID 133159221

IUPAC1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl3N2O/c20-15-8-6-13(7-9-15)11-24-10-2-3-14(12-24)19(25)23-17-5-1-4-16(21)18(17)22/h1,4-9,14H,2-3,10-12H2,(H,23,25)
InChIKeyRVCSWTTVSCNOIO-UHFFFAOYSA-N
MW397.73 g/mol
LogP5.50
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide (PubChem CID 133159221) has the molecular formula C19H19Cl3N2O and a molecular weight of 397.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
PubChem CID133159221
Molecular FormulaC19H19Cl3N2O
Molecular Weight397.73 g/mol
Exact Mass396.06
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl3N2O/c20-15-8-6-13(7-9-15)11-24-10-2-3-14(12-24)19(25)23-17-5-1-4-16(21)18(17)22/h1,4-9,14H,2-3,10-12H2,(H,23,25)
InChIKeyRVCSWTTVSCNOIO-UHFFFAOYSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43919883
1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 43924792
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
CID 43923845

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide (CID 133159221) is 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide?
The InChIKey is RVCSWTTVSCNOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O/c20-15-8-6-13(7-9-15)11-24-10-2-3-14(12-24)19(25)23-17-5-1-4-16(21)18(17)22/h1,4-9,14H,2-3,10-12H2,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide has a molecular weight of 397.73 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 133159221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).