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

C16H20Cl2N2O — CID 43921942

IUPACN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21)
InChIKeyQZQGFHOKNHJRIZ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.48
Rot. Bonds4

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

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921942) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43921942
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21)
InChIKeyQZQGFHOKNHJRIZ-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43921942) is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QZQGFHOKNHJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21).
What are the key properties of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).