1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide

C18H26Cl2N2O — CID 53284678

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-3-15(4-2)21-18(23)14-7-9-22(10-8-14)12-13-5-6-16(19)17(20)11-13/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyXKJVWBAXWDMLPM-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.51
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 53284678) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID53284678
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-3-15(4-2)21-18(23)14-7-9-22(10-8-14)12-13-5-6-16(19)17(20)11-13/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyXKJVWBAXWDMLPM-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
CID 1485113
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-(4-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38105132

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide (CID 53284678) is 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is XKJVWBAXWDMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-3-15(4-2)21-18(23)14-7-9-22(10-8-14)12-13-5-6-16(19)17(20)11-13/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53284678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).