(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one

C20H30N3O3+ — CID 9364973

IUPAC(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(15-26-2)23-14-18(12-19(23)24)20(25)22-10-8-21(9-11-22)13-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/p+1/t16-,18-/m1/s1
InChIKeyKRJPGDFTWCUWLQ-SJLPKXTDSA-O
MW360.48 g/mol
LogP-0.20
Rot. Bonds6

About (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one

(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one (PubChem CID 9364973) has the molecular formula C20H30N3O3+ and a molecular weight of 360.48 g/mol. Its IUPAC name is (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
PubChem CID9364973
Molecular FormulaC20H30N3O3+
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(15-26-2)23-14-18(12-19(23)24)20(25)22-10-8-21(9-11-22)13-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/p+1/t16-,18-/m1/s1
InChIKeyKRJPGDFTWCUWLQ-SJLPKXTDSA-O
XLogP-0.20
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8549524
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
CID 9398169
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
(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
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 9365166
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one (CID 9364973) is (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one is COC[C@@H](C)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The InChIKey is KRJPGDFTWCUWLQ-SJLPKXTDSA-O. The full InChI is InChI=1S/C20H29N3O3/c1-16(15-26-2)23-14-18(12-19(23)24)20(25)22-10-8-21(9-11-22)13-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/p+1/t16-,18-/m1/s1.
What are the key properties of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one has a molecular weight of 360.48 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 9364973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).