2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile

C20H25N3O2 — CID 97401403

IUPAC2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
SMILESN#CCN1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)c1ccccc12
InChIInChI=1S/C20H25N3O2/c21-9-12-22-10-7-20(8-11-22)14-19(24)23(15-16-4-3-13-25-16)18-6-2-1-5-17(18)20/h1-2,5-6,16H,3-4,7-8,10-15H2/t16-/m0/s1
InChIKeyIOWVAPRWXUIDRK-INIZCTEOSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile

2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile (PubChem CID 97401403) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
PubChem CID97401403
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
SMILESN#CCN1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)c1ccccc12
InChIInChI=1S/C20H25N3O2/c21-9-12-22-10-7-20(8-11-22)14-19(24)23(15-16-4-3-13-25-16)18-6-2-1-5-17(18)20/h1-2,5-6,16H,3-4,7-8,10-15H2/t16-/m0/s1
InChIKeyIOWVAPRWXUIDRK-INIZCTEOSA-N
XLogP2.46
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile
CID 131640470
1'-(cyclopropylmethyl)-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073270
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073271
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
2-[1-(cyclopropylmethyl)-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetic acid
CID 97401444
6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 67356544
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2,6-dihydrofuro[2,3-c]pyridine-3,3'-indole]-2',5-dione
CID 46832689
4a-(3-methoxyphenyl)-2-(oxolan-2-ylmethyl)-5,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
CID 20534391

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile?
The IUPAC name of 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile (CID 97401403) is 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile.
What is the SMILES notation for 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile?
The canonical SMILES for 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile is N#CCN1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)c1ccccc12.
What is the InChIKey of 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile?
The InChIKey is IOWVAPRWXUIDRK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-9-12-22-10-7-20(8-11-22)14-19(24)23(15-16-4-3-13-25-16)18-6-2-1-5-17(18)20/h1-2,5-6,16H,3-4,7-8,10-15H2/t16-/m0/s1.
What are the key properties of 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile?
2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile has a molecular weight of 339.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-1-[[(2S)-oxolan-2-yl]methyl]spiro[3H-quinoline-4,4'-piperidine]-1'-yl]acetonitrile is sourced from PubChem (CID 97401403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).