[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone

C17H18ClN3O — CID 120739700

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-6-7-19-10-14(12)17(22)21-9-8-20-11-16(21)13-4-2-3-5-15(13)18/h2-7,10,16,20H,8-9,11H2,1H3
InChIKeyNEVYJBBJRJJTMD-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.83
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone (PubChem CID 120739700) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
PubChem CID120739700
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-6-7-19-10-14(12)17(22)21-9-8-20-11-16(21)13-4-2-3-5-15(13)18/h2-7,10,16,20H,8-9,11H2,1H3
InChIKeyNEVYJBBJRJJTMD-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 120739544
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone (CID 120739700) is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone?
The InChIKey is NEVYJBBJRJJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-6-7-19-10-14(12)17(22)21-9-8-20-11-16(21)13-4-2-3-5-15(13)18/h2-7,10,16,20H,8-9,11H2,1H3.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone has a molecular weight of 315.80 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 120739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).