(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one

C18H28N4O2 — CID 97147763

IUPAC(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC(CCn3ccnc3C)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-3-20-13-16(12-17(20)23)18(24)22-9-5-15(6-10-22)4-8-21-11-7-19-14(21)2/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyGMCCJBXFOAFCKT-MRXNPFEDSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds5

About (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97147763) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97147763
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC(CCn3ccnc3C)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-3-20-13-16(12-17(20)23)18(24)22-9-5-15(6-10-22)4-8-21-11-7-19-14(21)2/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyGMCCJBXFOAFCKT-MRXNPFEDSA-N
XLogP1.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]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

4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 90493122
(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129478630
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97280064
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533672
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
1-ethyl-4-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46972610
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 97147763) is (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one is CCN1C[C@H](C(=O)N2CCC(CCn3ccnc3C)CC2)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GMCCJBXFOAFCKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-20-13-16(12-17(20)23)18(24)22-9-5-15(6-10-22)4-8-21-11-7-19-14(21)2/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97147763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).