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

C16H18N4O — CID 43461867

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C16H18N4O/c17-15-7-6-14(12-18-15)19-8-10-20(11-9-19)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,18)
InChIKeyKIGAZVUGDDARIZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds2

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

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone (PubChem CID 43461867) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
PubChem CID43461867
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C16H18N4O/c17-15-7-6-14(12-18-15)19-8-10-20(11-9-19)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,18)
InChIKeyKIGAZVUGDDARIZ-UHFFFAOYSA-N
XLogP1.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
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]-pyridin-3-ylmethanone
CID 43461900
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
[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-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
5-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971695

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone (CID 43461867) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone is Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is KIGAZVUGDDARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-15-7-6-14(12-18-15)19-8-10-20(11-9-19)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,18).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.63, 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]-phenylmethanone is sourced from PubChem (CID 43461867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).