1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C16H23ClN2O — CID 762829

IUPAC1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(2)18-16(20)14-7-9-19(10-8-14)11-13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)
InChIKeyISKJGCBCSRKNLZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.08
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 762829) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID762829
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(2)18-16(20)14-7-9-19(10-8-14)11-13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)
InChIKeyISKJGCBCSRKNLZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 762829) is 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is ISKJGCBCSRKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(2)18-16(20)14-7-9-19(10-8-14)11-13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,18,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 762829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).