(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H27N3O3 — CID 8549524

IUPAC(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-15(14-25-2)22-13-16(12-18(22)23)19(24)21-10-8-20(9-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyCKCVGAYXOOFGEG-JKSUJKDBSA-N
MW345.44 g/mol
LogP1.22
Rot. Bonds5

About (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 8549524) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID8549524
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-15(14-25-2)22-13-16(12-18(22)23)19(24)21-10-8-20(9-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyCKCVGAYXOOFGEG-JKSUJKDBSA-N
XLogP1.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9364973
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9365050
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 8549524) is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is COC[C@H](C)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CKCVGAYXOOFGEG-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(14-25-2)22-13-16(12-18(22)23)19(24)21-10-8-20(9-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 8549524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).