2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid

C19H24N2O3 — CID 97401444

IUPAC2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C19H24N2O3/c22-17-11-19(7-9-20(10-8-19)13-18(23)24)15-3-1-2-4-16(15)21(17)12-14-5-6-14/h1-4,14H,5-13H2,(H,23,24)
InChIKeySVOAMMSHOUBXIF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid

2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid (PubChem CID 97401444) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
PubChem CID97401444
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C19H24N2O3/c22-17-11-19(7-9-20(10-8-19)13-18(23)24)15-3-1-2-4-16(15)21(17)12-14-5-6-14/h1-4,14H,5-13H2,(H,23,24)
InChIKeySVOAMMSHOUBXIF-UHFFFAOYSA-N
XLogP2.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073270
1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 97401389
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
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073271
CID 59432259
CID 59432259
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134079507
1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155833256
1'-(cyclopropylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820788

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid (CID 97401444) is 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid is O=C(O)CN1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid?
The InChIKey is SVOAMMSHOUBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17-11-19(7-9-20(10-8-19)13-18(23)24)15-3-1-2-4-16(15)21(17)12-14-5-6-14/h1-4,14H,5-13H2,(H,23,24).
What are the key properties of 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid?
2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 97401444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).