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

C17H25ClN2O — CID 762839

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O/c1-13(2)11-19-17(21)14-7-9-20(10-8-14)12-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyKQTWWLASBMRJQK-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.32
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 762839) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID762839
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O/c1-13(2)11-19-17(21)14-7-9-20(10-8-14)12-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyKQTWWLASBMRJQK-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Uamc00039
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CID 11232123
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N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 762839) is 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is KQTWWLASBMRJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(2)11-19-17(21)14-7-9-20(10-8-14)12-15-5-3-4-6-16(15)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.32, 5 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-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 762839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).