2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone

C17H18ClN3O — CID 72720536

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1
InChIInChI=1S/C17H18ClN3O/c18-14-4-3-5-15(12-14)21-10-8-20(9-11-21)13-17(22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2
InChIKeyLTGXYUKRMOUDIB-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.74
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone (PubChem CID 72720536) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
PubChem CID72720536
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1
InChIInChI=1S/C17H18ClN3O/c18-14-4-3-5-15(12-14)21-10-8-20(9-11-21)13-17(22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2
InChIKeyLTGXYUKRMOUDIB-UHFFFAOYSA-N
XLogP2.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 70247357

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone (CID 72720536) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone is O=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone?
The InChIKey is LTGXYUKRMOUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-4-3-5-15(12-14)21-10-8-20(9-11-21)13-17(22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone has a molecular weight of 315.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 72720536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).