(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C23H29N3O3 — CID 95098786

About (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95098786) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 95098786
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)C1
• InChI: InChI=1S/C23H29N3O3/c1-15-3-2-9-24(13-15)22(28)18-12-21(27)26(14-18)19-6-7-20-17(11-19)8-10-25(20)23(29)16-4-5-16/h6-7,11,15-16,18H,2-5,8-10,12-14H2,1H3/t15-,18+/m0/s1
• InChIKey: HLMULJMGCNKIFV-MAUKXSAKSA-N
• XLogP: 2.60
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 95098786) is (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)C1.

What is the InChIKey of (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is HLMULJMGCNKIFV-MAUKXSAKSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-3-2-9-24(13-15)22(28)18-12-21(27)26(14-18)19-6-7-20-17(11-19)8-10-25(20)23(29)16-4-5-16/h6-7,11,15-16,18H,2-5,8-10,12-14H2,1H3/t15-,18+/m0/s1.

What are the key properties of (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?

(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95098786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).