2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone

C21H31N3O — CID 166613892

IUPAC2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
SMILESCN1[C@@H](CN)CC[C@H]1CC(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H31N3O/c1-23-17(6-7-18(23)15-22)14-20(25)24-12-10-21(11-13-24)9-8-16-4-2-3-5-19(16)21/h2-5,17-18H,6-15,22H2,1H3/t17-,18+/m0/s1
InChIKeyVINZKCVMFPZEKM-ZWKOTPCHSA-N
MW341.50 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone

2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone (PubChem CID 166613892) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
PubChem CID166613892
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
SMILESCN1[C@@H](CN)CC[C@H]1CC(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H31N3O/c1-23-17(6-7-18(23)15-22)14-20(25)24-12-10-21(11-13-24)9-8-16-4-2-3-5-19(16)21/h2-5,17-18H,6-15,22H2,1H3/t17-,18+/m0/s1
InChIKeyVINZKCVMFPZEKM-ZWKOTPCHSA-N
XLogP2.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166615577
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 126442712
[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 154819244
4-(4-ethylphenyl)-4-[(2-oxo-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)amino]butanal;methanol
CID 143719845
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 171386796
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438609
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone (CID 166613892) is 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone is CN1[C@@H](CN)CC[C@H]1CC(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone?
The InChIKey is VINZKCVMFPZEKM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H31N3O/c1-23-17(6-7-18(23)15-22)14-20(25)24-12-10-21(11-13-24)9-8-16-4-2-3-5-19(16)21/h2-5,17-18H,6-15,22H2,1H3/t17-,18+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone?
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone has a molecular weight of 341.50 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 166613892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).