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

C17H24ClN3O — CID 119843563

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-4,14,19H,5-13H2
InChIKeySAQYWHVCCFEZKE-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.38
Rot. Bonds3

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 119843563) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
PubChem CID119843563
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-4,14,19H,5-13H2
InChIKeySAQYWHVCCFEZKE-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119843578
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone
CID 53426269
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
1-[4-(3-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119858368
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone (CID 119843563) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is SAQYWHVCCFEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-4,14,19H,5-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 321.85 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 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-piperidin-4-ylethanone is sourced from PubChem (CID 119843563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).