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

C17H18ClN3O — CID 143237953

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2
InChIKeyOGCMHVSFJNBTHI-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.63
Rot. Bonds3

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 143237953) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID143237953
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2
InChIKeyOGCMHVSFJNBTHI-UHFFFAOYSA-N
XLogP2.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 133495099
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 2971175
2-(4-chlorophenyl)-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299392
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
1-[4-[(1R)-2,2-dichlorocyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95769741
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 143237953) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is OGCMHVSFJNBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 315.80 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 143237953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).