(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one

C24H34N2O2 — CID 70889148

IUPAC(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one
SMILESCC1C2CC(c3ccccc3)CCN2C(=O)[C@]12CCC(NC1CCOCC1)C2
InChIInChI=1S/C24H34N2O2/c1-17-22-15-19(18-5-3-2-4-6-18)8-12-26(22)23(27)24(17)11-7-21(16-24)25-20-9-13-28-14-10-20/h2-6,17,19-22,25H,7-16H2,1H3/t17?,19?,21?,22?,24-/m0/s1
InChIKeyREPDJFMUCBPCMC-NMWDGLMHSA-N
MW382.55 g/mol
LogP3.72
Rot. Bonds3

About (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one

(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one (PubChem CID 70889148) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one
PubChem CID70889148
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one
SMILESCC1C2CC(c3ccccc3)CCN2C(=O)[C@]12CCC(NC1CCOCC1)C2
InChIInChI=1S/C24H34N2O2/c1-17-22-15-19(18-5-3-2-4-6-18)8-12-26(22)23(27)24(17)11-7-21(16-24)25-20-9-13-28-14-10-20/h2-6,17,19-22,25H,7-16H2,1H3/t17?,19?,21?,22?,24-/m0/s1
InChIKeyREPDJFMUCBPCMC-NMWDGLMHSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one with MolForge

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Related Compounds

((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 11634118
((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)-5,6-dihydropyridin-1(2H)-yl)methanone
CID 11641253
N-{(1R,3S)-3-isopropyl-3-[(4-phenylpiperidin-1-yl)carbonyl]cyclopentyl}tetrahydro-2H-pyran-4-amine
CID 11618213
[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 11562060
[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 11698632
N-((1R,3S)-3-Isopropyl-3-{[4-[2-(trifluoromethyl)phenyl]-3,6-dihydropyridin-1(2H)-yl]carbonyl}cyclopentyl)tetrahydro-2H-pyran-4-amine
CID 11719634
[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 11720156
N-[4-[1-[(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(oxolan-3-yl)amino]cyclopentanecarbonyl]piperidin-4-yl]-2,6,6-trimethylheptan-2-yl]acetamide
CID 16116947
N-[4-[1-[(1R,2R)-2-(2,4-difluorophenyl)-4-[methyl(oxan-4-yl)amino]cyclopentanecarbonyl]piperidin-4-yl]-2,6,6-trimethylheptan-2-yl]acetamide
CID 16116948
[(1S)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 58585446
[(1S)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 58585452
[(1S)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 58585454

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one?
The IUPAC name of (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one (CID 70889148) is (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one.
What is the SMILES notation for (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one?
The canonical SMILES for (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one is CC1C2CC(c3ccccc3)CCN2C(=O)[C@]12CCC(NC1CCOCC1)C2.
What is the InChIKey of (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one?
The InChIKey is REPDJFMUCBPCMC-NMWDGLMHSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-17-22-15-19(18-5-3-2-4-6-18)8-12-26(22)23(27)24(17)11-7-21(16-24)25-20-9-13-28-14-10-20/h2-6,17,19-22,25H,7-16H2,1H3/t17?,19?,21?,22?,24-/m0/s1.
What are the key properties of (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one?
(2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one has a molecular weight of 382.55 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-3'-(oxan-4-ylamino)-7-phenylspiro[1,5,6,7,8,8a-hexahydroindolizine-2,1'-cyclopentane]-3-one is sourced from PubChem (CID 70889148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).