1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

C18H24Cl2N2O2 — CID 165431874

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H24Cl2N2O2/c19-16-4-3-13(10-17(16)20)11-22-7-1-2-14(12-22)18(23)21-15-5-8-24-9-6-15/h3-4,10,14-15H,1-2,5-9,11-12H2,(H,21,23)
InChIKeyLMTGLVIBXADYLE-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.50
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 165431874) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID165431874
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H24Cl2N2O2/c19-16-4-3-13(10-17(16)20)11-22-7-1-2-14(12-22)18(23)21-15-5-8-24-9-6-15/h3-4,10,14-15H,1-2,5-9,11-12H2,(H,21,23)
InChIKeyLMTGLVIBXADYLE-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431625
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925168
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926199
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (CID 165431874) is 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is LMTGLVIBXADYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c19-16-4-3-13(10-17(16)20)11-22-7-1-2-14(12-22)18(23)21-15-5-8-24-9-6-15/h3-4,10,14-15H,1-2,5-9,11-12H2,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 371.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165431874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).