[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone

C18H21N3O2 — CID 124953934

IUPAC[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C)cc1
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(18(22)15-4-3-9-19-12-15)13-17(20)14-5-7-16(23-2)8-6-14/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyDYVIMIPUOSFJBY-KRWDZBQOSA-N
MW311.39 g/mol
LogP2.22
Rot. Bonds3

About [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124953934) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID124953934
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C)cc1
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(18(22)15-4-3-9-19-12-15)13-17(20)14-5-7-16(23-2)8-6-14/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyDYVIMIPUOSFJBY-KRWDZBQOSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 110109712
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110109723
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29135200
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 124953934) is [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone is COc1ccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C)cc1.
What is the InChIKey of [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DYVIMIPUOSFJBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-10-11-21(18(22)15-4-3-9-19-12-15)13-17(20)14-5-7-16(23-2)8-6-14/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124953934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).