2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

C21H28N4O3 — CID 134800182

IUPAC2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)CC1
InChIInChI=1S/C21H28N4O3/c26-19(15-3-4-15)22-10-5-16(6-11-22)20(27)23-12-7-17(8-13-23)25-14-18-2-1-9-24(18)21(25)28/h1-2,9,15-17H,3-8,10-14H2
InChIKeyOIBQSJKOCRPVMQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.91
Rot. Bonds3

About 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 134800182) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID134800182
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)CC1
InChIInChI=1S/C21H28N4O3/c26-19(15-3-4-15)22-10-5-16(6-11-22)20(27)23-12-7-17(8-13-23)25-14-18-2-1-9-24(18)21(25)28/h1-2,9,15-17H,3-8,10-14H2
InChIKeyOIBQSJKOCRPVMQ-UHFFFAOYSA-N
XLogP1.91
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-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

2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134791159
2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134797355
CID 134797681
CID 134797681
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 122186788
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-[1-(4-aminocyclohexanecarbonyl)piperidin-4-yl]imidazolidin-2-one
CID 60947074
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797710
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (CID 134800182) is 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is O=C(C1CC1)N1CCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)CC1.
What is the InChIKey of 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is OIBQSJKOCRPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19(15-3-4-15)22-10-5-16(6-11-22)20(27)23-12-7-17(8-13-23)25-14-18-2-1-9-24(18)21(25)28/h1-2,9,15-17H,3-8,10-14H2.
What are the key properties of 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 134800182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).