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

C16H16ClN3O — CID 870371

IUPAC(4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16ClN3O/c17-14-6-4-13(5-7-14)16(21)20-11-9-19(10-12-20)15-3-1-2-8-18-15/h1-8H,9-12H2
InChIKeyHJVFVAZFMFYABI-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.70
Rot. Bonds2

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

(4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 870371) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID870371
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16ClN3O/c17-14-6-4-13(5-7-14)16(21)20-11-9-19(10-12-20)15-3-1-2-8-18-15/h1-8H,9-12H2
InChIKeyHJVFVAZFMFYABI-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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Related Compounds

Azaperone
CID 15443
Chloropyramine
CID 25295
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
5-Chloro-2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470742
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470746
13-[2-(3-Azidophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470749
13-[2-(4-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470756
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 870371) is (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HJVFVAZFMFYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-6-4-13(5-7-14)16(21)20-11-9-19(10-12-20)15-3-1-2-8-18-15/h1-8H,9-12H2.
What are the key properties of (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-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 (4-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 870371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).