2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide

C21H24ClN3O2 — CID 131947340

IUPAC2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C21H24ClN3O2/c22-19-6-2-1-5-18(19)13-20(26)24-14-17-4-3-11-25(15-17)21(27)12-16-7-9-23-10-8-16/h1-2,5-10,17H,3-4,11-15H2,(H,24,26)
InChIKeyIVUDGHUDGWYOKJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.88
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide (PubChem CID 131947340) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
PubChem CID131947340
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C21H24ClN3O2/c22-19-6-2-1-5-18(19)13-20(26)24-14-17-4-3-11-25(15-17)21(27)12-16-7-9-23-10-8-16/h1-2,5-10,17H,3-4,11-15H2,(H,24,26)
InChIKeyIVUDGHUDGWYOKJ-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
2-pyridin-4-yl-1-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 154892912
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide (CID 131947340) is 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide is O=C(Cc1ccccc1Cl)NCC1CCCN(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is IVUDGHUDGWYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-19-6-2-1-5-18(19)13-20(26)24-14-17-4-3-11-25(15-17)21(27)12-16-7-9-23-10-8-16/h1-2,5-10,17H,3-4,11-15H2,(H,24,26).
What are the key properties of 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 131947340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).