1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

C18H27ClN2O — CID 795603

IUPAC1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O/c1-14(2)7-10-20-18(22)15-8-11-21(12-9-15)13-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)
InChIKeyKMAOKULMVSSRTJ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.71
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 795603) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID795603
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O/c1-14(2)7-10-20-18(22)15-8-11-21(12-9-15)13-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)
InChIKeyKMAOKULMVSSRTJ-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 795603) is 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is KMAOKULMVSSRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(2)7-10-20-18(22)15-8-11-21(12-9-15)13-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 322.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 795603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).