[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C21H26N4O — CID 24819464

IUPAC[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N4O/c26-21(20-10-4-5-11-22-20)25-12-6-9-19(17-25)24-15-13-23(14-16-24)18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2
InChIKeyUQBUXXIHBYSWHP-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.51
Rot. Bonds3

About [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 24819464) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID24819464
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N4O/c26-21(20-10-4-5-11-22-20)25-12-6-9-19(17-25)24-15-13-23(14-16-24)18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2
InChIKeyUQBUXXIHBYSWHP-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 24819464) is [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UQBUXXIHBYSWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(20-10-4-5-11-22-20)25-12-6-9-19(17-25)24-15-13-23(14-16-24)18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2.
What are the key properties of [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 24819464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).