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

C17H24ClN3O — CID 78782367

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-5-4-6-16(13-15)20-11-9-19(10-12-20)14-17(22)21-7-2-1-3-8-21/h4-6,13H,1-3,7-12,14H2
InChIKeyLQHOLKLOZULOET-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.47
Rot. Bonds3

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 78782367) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID78782367
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-5-4-6-16(13-15)20-11-9-19(10-12-20)14-17(22)21-7-2-1-3-8-21/h4-6,13H,1-3,7-12,14H2
InChIKeyLQHOLKLOZULOET-UHFFFAOYSA-N
XLogP2.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 78782367) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is LQHOLKLOZULOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-5-4-6-16(13-15)20-11-9-19(10-12-20)14-17(22)21-7-2-1-3-8-21/h4-6,13H,1-3,7-12,14H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 321.85 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 78782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).