[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone

C21H29N3O2 — CID 119411813

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C21H29N3O2/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-11-10-16(22)13-23/h2,5-6,9,14,16-18H,3-4,7-8,10-13,22H2,1H3/t14?,16-,17?,18?/m1/s1
InChIKeyNCRSKZOEUWZKRE-IBZCDOPMSA-N
MW355.48 g/mol
LogP2.33
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone (PubChem CID 119411813) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
PubChem CID119411813
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C21H29N3O2/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-11-10-16(22)13-23/h2,5-6,9,14,16-18H,3-4,7-8,10-13,22H2,1H3/t14?,16-,17?,18?/m1/s1
InChIKeyNCRSKZOEUWZKRE-IBZCDOPMSA-N
XLogP2.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone with MolForge

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
CID 119519283
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone (CID 119411813) is [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone is CC1Cc2ccccc2N1C(=O)C1CCCCC1C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
The InChIKey is NCRSKZOEUWZKRE-IBZCDOPMSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14-12-15-6-2-5-9-19(15)24(14)21(26)18-8-4-3-7-17(18)20(25)23-11-10-16(22)13-23/h2,5-6,9,14,16-18H,3-4,7-8,10-13,22H2,1H3/t14?,16-,17?,18?/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone has a molecular weight of 355.48 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone is sourced from PubChem (CID 119411813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).