N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C22H29N3O2 — CID 92606051

IUPACN-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1[nH]c2ccccc2c1[C@H]1CC[C@@H](NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C22H29N3O2/c1-15-22(18-6-2-3-7-19(18)23-15)16-10-11-17(14-16)24-20(26)8-4-12-25-13-5-9-21(25)27/h2-3,6-7,16-17,23H,4-5,8-14H2,1H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyQJCJEJPSCDYZPV-DLBZAZTESA-N
MW367.49 g/mol
LogP3.63
Rot. Bonds6

About N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 92606051) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID92606051
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1[nH]c2ccccc2c1[C@H]1CC[C@@H](NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C22H29N3O2/c1-15-22(18-6-2-3-7-19(18)23-15)16-10-11-17(14-16)24-20(26)8-4-12-25-13-5-9-21(25)27/h2-3,6-7,16-17,23H,4-5,8-14H2,1H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyQJCJEJPSCDYZPV-DLBZAZTESA-N
XLogP3.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 92606051) is N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is QJCJEJPSCDYZPV-DLBZAZTESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-22(18-6-2-3-7-19(18)23-15)16-10-11-17(14-16)24-20(26)8-4-12-25-13-5-9-21(25)27/h2-3,6-7,16-17,23H,4-5,8-14H2,1H3,(H,24,26)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 367.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 92606051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).