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

C18H19ClN4O — CID 120803031

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN4O/c19-14-3-1-2-13(10-14)16-11-20-8-9-23(16)18(24)15-6-7-21-17(22-15)12-4-5-12/h1-3,6-7,10,12,16,20H,4-5,8-9,11H2
InChIKeyLNBGNPAMBIPLNH-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.79
Rot. Bonds3

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

[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (PubChem CID 120803031) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
PubChem CID120803031
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN4O/c19-14-3-1-2-13(10-14)16-11-20-8-9-23(16)18(24)15-6-7-21-17(22-15)12-4-5-12/h1-3,6-7,10,12,16,20H,4-5,8-9,11H2
InChIKeyLNBGNPAMBIPLNH-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120802842
[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
CID 120735828
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 120802841

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (CID 120803031) is [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is O=C(c1ccnc(C2CC2)n1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The InChIKey is LNBGNPAMBIPLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-14-3-1-2-13(10-14)16-11-20-8-9-23(16)18(24)15-6-7-21-17(22-15)12-4-5-12/h1-3,6-7,10,12,16,20H,4-5,8-9,11H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone has a molecular weight of 342.83 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is sourced from PubChem (CID 120803031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).