2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide

C15H21ClN2O — CID 60806745

IUPAC2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
SMILESCCN(C(=O)Cc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-18(14-7-9-17-10-8-14)15(19)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3
InChIKeyBIINICMTHNBYDK-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide

2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide (PubChem CID 60806745) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
PubChem CID60806745
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
SMILESCCN(C(=O)Cc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-18(14-7-9-17-10-8-14)15(19)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3
InChIKeyBIINICMTHNBYDK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide (CID 60806745) is 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide is CCN(C(=O)Cc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide?
The InChIKey is BIINICMTHNBYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-18(14-7-9-17-10-8-14)15(19)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide?
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide has a molecular weight of 280.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 60806745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).