N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

C19H22ClN3O2 — CID 126813830

IUPACN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(c3ccccc3Cl)C2)c(=O)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-8-10-23(19(25)11-14)13-18(24)21-15-5-4-9-22(12-15)17-7-3-2-6-16(17)20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3,(H,21,24)
InChIKeyGSRHEIAHEIDSAR-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 126813830) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID126813830
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)NC2CCCN(c3ccccc3Cl)C2)c(=O)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-8-10-23(19(25)11-14)13-18(24)21-15-5-4-9-22(12-15)17-7-3-2-6-16(17)20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3,(H,21,24)
InChIKeyGSRHEIAHEIDSAR-UHFFFAOYSA-N
XLogP2.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (CID 126813830) is N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is Cc1ccn(CC(=O)NC2CCCN(c3ccccc3Cl)C2)c(=O)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is GSRHEIAHEIDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-8-10-23(19(25)11-14)13-18(24)21-15-5-4-9-22(12-15)17-7-3-2-6-16(17)20/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3,(H,21,24).
What are the key properties of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126813830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).