1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one

C25H25N3O3 — CID 45241198

IUPAC1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)CCc2cnccn2)C1
InChIInChI=1S/C25H25N3O3/c29-24(13-10-21-17-26-14-15-27-21)28-16-4-5-20(18-28)25(30)19-8-11-23(12-9-19)31-22-6-2-1-3-7-22/h1-3,6-9,11-12,14-15,17,20H,4-5,10,13,16,18H2
InChIKeyBJPGDDNNPYHALA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.32
Rot. Bonds7

About 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one

1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 45241198) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID45241198
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)CCc2cnccn2)C1
InChIInChI=1S/C25H25N3O3/c29-24(13-10-21-17-26-14-15-27-21)28-16-4-5-20(18-28)25(30)19-8-11-23(12-9-19)31-22-6-2-1-3-7-22/h1-3,6-9,11-12,14-15,17,20H,4-5,10,13,16,18H2
InChIKeyBJPGDDNNPYHALA-UHFFFAOYSA-N
XLogP4.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
4-[1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 119068614
1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 42096263
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 45218026
3-[2-oxo-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 45251428
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one (CID 45241198) is 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one is O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)CCc2cnccn2)C1.
What is the InChIKey of 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is BJPGDDNNPYHALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(13-10-21-17-26-14-15-27-21)28-16-4-5-20(18-28)25(30)19-8-11-23(12-9-19)31-22-6-2-1-3-7-22/h1-3,6-9,11-12,14-15,17,20H,4-5,10,13,16,18H2.
What are the key properties of 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 415.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 45241198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).