1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C25H34N4O3 — CID 53155852

IUPAC1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1
InChIInChI=1S/C25H34N4O3/c1-17-4-2-3-11-27(17)13-10-26-24(31)20-15-23(30)29(16-20)21-7-8-22-19(14-21)9-12-28(22)25(32)18-5-6-18/h7-8,14,17-18,20H,2-6,9-13,15-16H2,1H3,(H,26,31)
InChIKeyUMXLZOCLDJHDOJ-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.33
Rot. Bonds6

About 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155852) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53155852
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1
InChIInChI=1S/C25H34N4O3/c1-17-4-2-3-11-27(17)13-10-26-24(31)20-15-23(30)29(16-20)21-7-8-22-19(14-21)9-12-28(22)25(32)18-5-6-18/h7-8,14,17-18,20H,2-6,9-13,15-16H2,1H3,(H,26,31)
InChIKeyUMXLZOCLDJHDOJ-UHFFFAOYSA-N
XLogP2.33
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098830
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 95098688
(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098669
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098722
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95098736
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 53155852) is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC1CCCCN1CCNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMXLZOCLDJHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-17-4-2-3-11-27(17)13-10-26-24(31)20-15-23(30)29(16-20)21-7-8-22-19(14-21)9-12-28(22)25(32)18-5-6-18/h7-8,14,17-18,20H,2-6,9-13,15-16H2,1H3,(H,26,31).
What are the key properties of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).