(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C15H29N3O2 — CID 98761813

IUPAC(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1C
InChIInChI=1S/C15H29N3O2/c1-13-12-18(9-8-16(13)10-11-20-3)14(2)15(19)17-6-4-5-7-17/h13-14H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyGYTGFTDAFIYKHN-UONOGXRCSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 98761813) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID98761813
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1C
InChIInChI=1S/C15H29N3O2/c1-13-12-18(9-8-16(13)10-11-20-3)14(2)15(19)17-6-4-5-7-17/h13-14H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyGYTGFTDAFIYKHN-UONOGXRCSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

(2R)-1-(azepan-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propan-1-one
CID 98761380
(2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95332945
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 98761337
(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
CID 119880328
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880273
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98763895
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 98761813) is (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is COCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@@H]1C.
What is the InChIKey of (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GYTGFTDAFIYKHN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-12-18(9-8-16(13)10-11-20-3)14(2)15(19)17-6-4-5-7-17/h13-14H,4-12H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 98761813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).