(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one

C19H29N5O2 — CID 138015699

IUPAC(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@H]1c1nccn1C
InChIInChI=1S/C19H29N5O2/c1-3-24-16(25)12-15(17(24)18-20-6-7-21(18)2)19(26)23-10-8-22(9-11-23)13-14-4-5-14/h6-7,14-15,17H,3-5,8-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyLCHNXYHLYYBGAP-RDJZCZTQSA-N
MW359.47 g/mol
LogP0.88
Rot. Bonds5

About (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one

(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one (PubChem CID 138015699) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
PubChem CID138015699
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@H]1c1nccn1C
InChIInChI=1S/C19H29N5O2/c1-3-24-16(25)12-15(17(24)18-20-6-7-21(18)2)19(26)23-10-8-22(9-11-23)13-14-4-5-14/h6-7,14-15,17H,3-5,8-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyLCHNXYHLYYBGAP-RDJZCZTQSA-N
XLogP0.88
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 55902291
N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
CID 154799304
(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129478630
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 128975674
(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 154756662
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377625
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138012870
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 154796001
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 138012829
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 138012860

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one (CID 138015699) is (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one is CCN1C(=O)C[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@H]1c1nccn1C.
What is the InChIKey of (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is LCHNXYHLYYBGAP-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-24-16(25)12-15(17(24)18-20-6-7-21(18)2)19(26)23-10-8-22(9-11-23)13-14-4-5-14/h6-7,14-15,17H,3-5,8-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 138015699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).