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

C22H30N2O2 — CID 118742338

IUPAC1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)c2ccccc2N1CC1CC1
InChIInChI=1S/C22H30N2O2/c25-21-13-22(8-10-23(11-9-22)14-18-7-12-26-16-18)19-3-1-2-4-20(19)24(21)15-17-5-6-17/h1-4,17-18H,5-16H2
InChIKeyGUXAIPFJKJSBPM-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.20
Rot. Bonds4

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

1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (PubChem CID 118742338) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
PubChem CID118742338
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESO=C1CC2(CCN(CC3CCOC3)CC2)c2ccccc2N1CC1CC1
InChIInChI=1S/C22H30N2O2/c25-21-13-22(8-10-23(11-9-22)14-18-7-12-26-16-18)19-3-1-2-4-20(19)24(21)15-17-5-6-17/h1-4,17-18H,5-16H2
InChIKeyGUXAIPFJKJSBPM-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
8-{2-[4-(2-Cyclopropyl-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11474937
1-(1-Cyclooctylpiperidin-4-yl)-4-methyl-3,4-dihydroquinolin-2-one
CID 71624389
1-[3-[4-(3-Hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719925
1-[3-[4-(5-Hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719926
1-[3-[4-(7-Hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719927
1-[3-[4-(9-Hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719928
1-[3-[4-(11-Hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719929
1-[3-[4-(13-Hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 118719930
1-(3-(4-benzylpiperidin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 137640201
1-[3-(4-Methylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137640511
1-[3-(4-Phenylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 137642607

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one (CID 118742338) is 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is O=C1CC2(CCN(CC3CCOC3)CC2)c2ccccc2N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
The InChIKey is GUXAIPFJKJSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21-13-22(8-10-23(11-9-22)14-18-7-12-26-16-18)19-3-1-2-4-20(19)24(21)15-17-5-6-17/h1-4,17-18H,5-16H2.
What are the key properties of 1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one?
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.20, 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-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 118742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).