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

C18H26Cl2N2O — CID 43924572

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H26Cl2N2O/c1-2-3-4-9-21-18(23)15-6-5-10-22(13-15)12-14-7-8-16(19)17(20)11-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,21,23)
InChIKeyCWYATYKNZOCRLF-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.51
Rot. Bonds7

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

1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide (PubChem CID 43924572) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
PubChem CID43924572
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H26Cl2N2O/c1-2-3-4-9-21-18(23)15-6-5-10-22(13-15)12-14-7-8-16(19)17(20)11-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,21,23)
InChIKeyCWYATYKNZOCRLF-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide (CID 43924572) is 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide?
The InChIKey is CWYATYKNZOCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-2-3-4-9-21-18(23)15-6-5-10-22(13-15)12-14-7-8-16(19)17(20)11-14/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 4.51, 7 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-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 43924572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).