[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone

C20H23ClN4O2 — CID 109184792

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c21-16-2-1-3-17(14-16)23-6-8-25(9-7-23)20(26)19-5-4-18(15-22-19)24-10-12-27-13-11-24/h1-5,14-15H,6-13H2
InChIKeyZSDQCVJVSJIPTP-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.53
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone (PubChem CID 109184792) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
PubChem CID109184792
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c21-16-2-1-3-17(14-16)23-6-8-25(9-7-23)20(26)19-5-4-18(15-22-19)24-10-12-27-13-11-24/h1-5,14-15H,6-13H2
InChIKeyZSDQCVJVSJIPTP-UHFFFAOYSA-N
XLogP2.53
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 91816383
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180488
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone (CID 109184792) is [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone is O=C(c1ccc(N2CCOCC2)cn1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone?
The InChIKey is ZSDQCVJVSJIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-2-1-3-17(14-16)23-6-8-25(9-7-23)20(26)19-5-4-18(15-22-19)24-10-12-27-13-11-24/h1-5,14-15H,6-13H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone has a molecular weight of 386.88 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 109184792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).