1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

C22H30N2O2 — CID 134073270

IUPAC1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(CC3CC3)CC2)c2ccccc2N1CC1CCCO1
InChIInChI=1S/C22H30N2O2/c25-21-14-22(9-11-23(12-10-22)15-17-7-8-17)19-5-1-2-6-20(19)24(21)16-18-4-3-13-26-18/h1-2,5-6,17-18H,3-4,7-16H2
InChIKeyWRXSQBXQONNXTF-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.35
Rot. Bonds4

About 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one

1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (PubChem CID 134073270) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
PubChem CID134073270
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(CC3CC3)CC2)c2ccccc2N1CC1CCCO1
InChIInChI=1S/C22H30N2O2/c25-21-14-22(9-11-23(12-10-22)15-17-7-8-17)19-5-1-2-6-20(19)24(21)16-18-4-3-13-26-18/h1-2,5-6,17-18H,3-4,7-16H2
InChIKeyWRXSQBXQONNXTF-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
CID 131640470
2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
CID 97401403
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073271
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
CID 97401444
1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 97401389
CID 59432259
CID 59432259
1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586714
4a-(3-methoxyphenyl)-2-(oxolan-2-ylmethyl)-5,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
CID 20534391
ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
CID 11971870
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (CID 134073270) is 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is O=C1CC2(CCN(CC3CC3)CC2)c2ccccc2N1CC1CCCO1.
What is the InChIKey of 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The InChIKey is WRXSQBXQONNXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21-14-22(9-11-23(12-10-22)15-17-7-8-17)19-5-1-2-6-20(19)24(21)16-18-4-3-13-26-18/h1-2,5-6,17-18H,3-4,7-16H2.
What are the key properties of 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 134073270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).