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

C19H23ClN4O — CID 109223421

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-14(2)22-17-10-15(12-21-13-17)19(25)24-8-6-23(7-9-24)18-5-3-4-16(20)11-18/h3-5,10-14,22H,6-9H2,1-2H3
InChIKeyMMIAVEIXCUIBII-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.52
Rot. Bonds4

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

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 109223421) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID109223421
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-14(2)22-17-10-15(12-21-13-17)19(25)24-8-6-23(7-9-24)18-5-3-4-16(20)11-18/h3-5,10-14,22H,6-9H2,1-2H3
InChIKeyMMIAVEIXCUIBII-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
CID 109223025
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109151978
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone (CID 109223421) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone is CC(C)Nc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is MMIAVEIXCUIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14(2)22-17-10-15(12-21-13-17)19(25)24-8-6-23(7-9-24)18-5-3-4-16(20)11-18/h3-5,10-14,22H,6-9H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.52, 4 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-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109223421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).