[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

C21H26N4O — CID 109182571

IUPAC[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccccc3)CC2)cn1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)20-10-9-19(17-22-20)24-15-13-23(14-16-24)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKeyUGQCWNGNUMWBDJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.03
Rot. Bonds3

About [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109182571) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109182571
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccccc3)CC2)cn1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)20-10-9-19(17-22-20)24-15-13-23(14-16-24)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKeyUGQCWNGNUMWBDJ-UHFFFAOYSA-N
XLogP3.03
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[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
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859

Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109182571) is [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(N2CCN(c3ccccc3)CC2)cn1)N1CCCCC1.
What is the InChIKey of [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is UGQCWNGNUMWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)20-10-9-19(17-22-20)24-15-13-23(14-16-24)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2.
What are the key properties of [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109182571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).