cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone

C25H31N3O — CID 134789983

IUPACcyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21
InChIInChI=1S/C25H31N3O/c29-24(21-9-1-2-10-21)28-19-25(16-22-11-3-4-12-23(22)28)13-5-6-15-27(25)18-20-8-7-14-26-17-20/h3-4,7-8,11-12,14,17,21H,1-2,5-6,9-10,13,15-16,18-19H2
InChIKeyZYNJLFICFSYRJK-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.59
Rot. Bonds3

About cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone

cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone (PubChem CID 134789983) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
PubChem CID134789983
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Namecyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21
InChIInChI=1S/C25H31N3O/c29-24(21-9-1-2-10-21)28-19-25(16-22-11-3-4-12-23(22)28)13-5-6-15-27(25)18-20-8-7-14-26-17-20/h3-4,7-8,11-12,14,17,21H,1-2,5-6,9-10,13,15-16,18-19H2
InChIKeyZYNJLFICFSYRJK-UHFFFAOYSA-N
XLogP4.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134791465
cyclopentyl-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134787285
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
N,N-dimethyl-2-[2-(pyridin-3-ylmethyl)-2,6-diazaspiro[4.5]decan-6-yl]acetamide
CID 134070809
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
1'-(cyclohexanecarbonyl)-2-(pyridin-3-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685769
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
cyclohexyl-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]methanone
CID 110067150
cyclopentyl-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134788894
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
[1'-[(4-chlorophenyl)methyl]spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl]-cyclopentylmethanone
CID 134789733
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
CID 134791170

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The IUPAC name of cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone (CID 134789983) is cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The canonical SMILES for cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone is O=C(C1CCCC1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21.
What is the InChIKey of cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The InChIKey is ZYNJLFICFSYRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-24(21-9-1-2-10-21)28-19-25(16-22-11-3-4-12-23(22)28)13-5-6-15-27(25)18-20-8-7-14-26-17-20/h3-4,7-8,11-12,14,17,21H,1-2,5-6,9-10,13,15-16,18-19H2.
What are the key properties of cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone has a molecular weight of 389.54 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone is sourced from PubChem (CID 134789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).