(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone

C17H18ClN3O — CID 46912163

IUPAC(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H18ClN3O/c1-13-6-7-19-16(12-13)20-8-10-21(11-9-20)17(22)14-2-4-15(18)5-3-14/h2-7,12H,8-11H2,1H3
InChIKeyHGXAHIGWDWGWON-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.01
Rot. Bonds2

About (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 46912163) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID46912163
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H18ClN3O/c1-13-6-7-19-16(12-13)20-8-10-21(11-9-20)17(22)14-2-4-15(18)5-3-14/h2-7,12H,8-11H2,1H3
InChIKeyHGXAHIGWDWGWON-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 46912163) is (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is HGXAHIGWDWGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-13-6-7-19-16(12-13)20-8-10-21(11-9-20)17(22)14-2-4-15(18)5-3-14/h2-7,12H,8-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 315.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46912163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).