N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide

C15H21ClN2O — CID 3984974

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-12-4-2-3-9-18(12)11-15(19)17-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyVCHFVQATOVGUED-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 3984974) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID3984974
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-12-4-2-3-9-18(12)11-15(19)17-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyVCHFVQATOVGUED-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide (CID 3984974) is N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is VCHFVQATOVGUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-4-2-3-9-18(12)11-15(19)17-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 280.80 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3984974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).