1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one

C21H26N2O3 — CID 97386074

IUPAC1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C21H26N2O3/c24-19(18-6-3-13-26-18)22-11-9-21(10-12-22)16-4-1-2-5-17(16)23(20(21)25)14-15-7-8-15/h1-2,4-5,15,18H,3,6-14H2/t18-/m1/s1
InChIKeyFGEMHLJIEKFRHH-GOSISDBHSA-N
MW354.45 g/mol
LogP2.48
Rot. Bonds3

About 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one

1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 97386074) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID97386074
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C21H26N2O3/c24-19(18-6-3-13-26-18)22-11-9-21(10-12-22)16-4-1-2-5-17(16)23(20(21)25)14-15-7-8-15/h1-2,4-5,15,18H,3,6-14H2/t18-/m1/s1
InChIKeyFGEMHLJIEKFRHH-GOSISDBHSA-N
XLogP2.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1''-cyclooctylmethyl-1-(2-oxiranylmethyl)spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982660
2-[1'-(Cyclooctylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]ethyl acetate
CID 44404731
(2,3-Dihydro-indol-1-yl)-(tetrahydro-furan-2-yl)-methanone
CID 651377
methyl [1''-(cyclopropylmethyl)-2-oxospiro[indole-3,4''-piperidin]-1(2H)-yl]acetate
CID 15983063
Methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982932
2H-Indol-2-one, 1,3-dihydro-3-ethyl-1-(2-(4-morpholinyl)ethyl)-3-phenyl-, monohydrochloride
CID 216142
1-methyl-1'-(tetrahydro-2H-pyran-4-carbonyl)spiro[indoline-3,4'-piperidin]-2-one
CID 91914380
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97388463
1-(Cyclopropylmethyl)-1'-methylspiro[indole-3,4'-piperidine]-2-one
CID 97400093
[(2S,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97408262
1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 97452554
1'-Acetyl-1-(cyclopropylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97504013

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (CID 97386074) is 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is O=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FGEMHLJIEKFRHH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-19(18-6-3-13-26-18)22-11-9-21(10-12-22)16-4-1-2-5-17(16)23(20(21)25)14-15-7-8-15/h1-2,4-5,15,18H,3,6-14H2/t18-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97386074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).