2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C19H22N4O2 — CID 109004798

IUPAC2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(NCC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-15(24)16-5-4-6-17(13-16)21-14-19(25)23-11-9-22(10-12-23)18-7-2-3-8-20-18/h2-8,13,21H,9-12,14H2,1H3
InChIKeyBBIHXNYTWCCCMT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 109004798) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID109004798
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(NCC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-15(24)16-5-4-6-17(13-16)21-14-19(25)23-11-9-22(10-12-23)18-7-2-3-8-20-18/h2-8,13,21H,9-12,14H2,1H3
InChIKeyBBIHXNYTWCCCMT-UHFFFAOYSA-N
XLogP2.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
2-(1,3-benzodioxol-5-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004822
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-[4-chloro-3-(trifluoromethyl)anilino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004830
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71704653
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
N-[3-[[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]phenyl]acetamide
CID 111221389

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 109004798) is 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CC(=O)c1cccc(NCC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BBIHXNYTWCCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15(24)16-5-4-6-17(13-16)21-14-19(25)23-11-9-22(10-12-23)18-7-2-3-8-20-18/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109004798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).