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

C21H26N4O — CID 109166154

IUPAC[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCN(c3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)18-9-10-22-20(17-18)24-15-13-23(14-16-24)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKeyMUZDVNHTGNSBSI-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.03
Rot. Bonds3

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

[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109166154) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109166154
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCN(c3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)18-9-10-22-20(17-18)24-15-13-23(14-16-24)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKeyMUZDVNHTGNSBSI-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

[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166166
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone (CID 109166154) is [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccnc(N2CCN(c3ccccc3)CC2)c1)N1CCCCC1.
What is the InChIKey of [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MUZDVNHTGNSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-11-5-2-6-12-25)18-9-10-22-20(17-18)24-15-13-23(14-16-24)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2.
What are the key properties of [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(4-phenylpiperazin-1-yl)-4-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 [2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109166154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).