[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone

C16H17ClN4O — CID 136573282

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-12(2-4-13)16(22)21-9-7-20(8-10-21)14-5-6-15(18)19-11-14/h1-6,11H,7-10H2,(H2,18,19)
InChIKeyZQVCFAQSLQTPEM-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.28
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 136573282) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID136573282
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-12(2-4-13)16(22)21-9-7-20(8-10-21)14-5-6-15(18)19-11-14/h1-6,11H,7-10H2,(H2,18,19)
InChIKeyZQVCFAQSLQTPEM-UHFFFAOYSA-N
XLogP2.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone (CID 136573282) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone is Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is ZQVCFAQSLQTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-3-1-12(2-4-13)16(22)21-9-7-20(8-10-21)14-5-6-15(18)19-11-14/h1-6,11H,7-10H2,(H2,18,19).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 316.79 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 136573282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).