1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide

C19H20Cl2N2O — CID 43918962

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H20Cl2N2O/c20-17-9-4-10-18(21)16(17)13-23-11-5-6-14(12-23)19(24)22-15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2,(H,22,24)
InChIKeySWFXAWZOPBULHB-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.84
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 43918962) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID43918962
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H20Cl2N2O/c20-17-9-4-10-18(21)16(17)13-23-11-5-6-14(12-23)19(24)22-15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2,(H,22,24)
InChIKeySWFXAWZOPBULHB-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43922058
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide (CID 43918962) is 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is SWFXAWZOPBULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-9-4-10-18(21)16(17)13-23-11-5-6-14(12-23)19(24)22-15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2,(H,22,24).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 43918962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).