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

C19H21ClN4O — CID 109180488

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C19H21ClN4O/c1-2-8-21-16-6-7-18(22-14-16)19(25)24-11-9-23(10-12-24)17-5-3-4-15(20)13-17/h2-7,13-14,21H,1,8-12H2
InChIKeyLLXCMBLBVOKVAL-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.30
Rot. Bonds5

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

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone (PubChem CID 109180488) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
PubChem CID109180488
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C19H21ClN4O/c1-2-8-21-16-6-7-18(22-14-16)19(25)24-11-9-23(10-12-24)17-5-3-4-15(20)13-17/h2-7,13-14,21H,1,8-12H2
InChIKeyLLXCMBLBVOKVAL-UHFFFAOYSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
CID 109184792
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
[4-(3-methylphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295973
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
[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-(prop-2-enylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone (CID 109180488) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone is C=CCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
The InChIKey is LLXCMBLBVOKVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-2-8-21-16-6-7-18(22-14-16)19(25)24-11-9-23(10-12-24)17-5-3-4-15(20)13-17/h2-7,13-14,21H,1,8-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone has a molecular weight of 356.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109180488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).