phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone

C17H17N3O2 — CID 742493

IUPACphenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H17N3O2/c21-16(14-4-2-1-3-5-14)19-10-12-20(13-11-19)17(22)15-6-8-18-9-7-15/h1-9H,10-13H2
InChIKeyFGADPEWNLZSMMO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.68
Rot. Bonds2

About phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone

phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 742493) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID742493
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namephenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H17N3O2/c21-16(14-4-2-1-3-5-14)19-10-12-20(13-11-19)17(22)15-6-8-18-9-7-15/h1-9H,10-13H2
InChIKeyFGADPEWNLZSMMO-UHFFFAOYSA-N
XLogP1.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591502
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone (CID 742493) is phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is FGADPEWNLZSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(14-4-2-1-3-5-14)19-10-12-20(13-11-19)17(22)15-6-8-18-9-7-15/h1-9H,10-13H2.
What are the key properties of phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 295.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 742493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).