1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one

C19H23N3O2 — CID 124958227

IUPAC1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)CCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-7-5-16(6-8-17)18-14-21-11-12-22(18)19(23)9-4-15-3-2-10-20-13-15/h2-3,5-8,10,13,18,21H,4,9,11-12,14H2,1H3/t18-/m0/s1
InChIKeyGEPYFFNCKTYJDQ-SFHVURJKSA-N
MW325.41 g/mol
LogP2.20
Rot. Bonds5

About 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 124958227) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID124958227
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)CCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-7-5-16(6-8-17)18-14-21-11-12-22(18)19(23)9-4-15-3-2-10-20-13-15/h2-3,5-8,10,13,18,21H,4,9,11-12,14H2,1H3/t18-/m0/s1
InChIKeyGEPYFFNCKTYJDQ-SFHVURJKSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
3-(3-nitrophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730938
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125013128
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 124958227) is 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one is COc1ccc([C@@H]2CNCCN2C(=O)CCc2cccnc2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is GEPYFFNCKTYJDQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-7-5-16(6-8-17)18-14-21-11-12-22(18)19(23)9-4-15-3-2-10-20-13-15/h2-3,5-8,10,13,18,21H,4,9,11-12,14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 124958227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).