(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H16ClN3O — CID 870370

IUPAC(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16ClN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2
InChIKeyRJBBTKDXDVYSIE-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.70
Rot. Bonds2

About (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 870370) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID870370
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16ClN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2
InChIKeyRJBBTKDXDVYSIE-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 870370) is (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RJBBTKDXDVYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2.
What are the key properties of (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 301.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 870370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).