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

C26H27N3O — CID 134791465

IUPACphenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21
InChIInChI=1S/C26H27N3O/c30-25(22-10-2-1-3-11-22)29-20-26(17-23-12-4-5-13-24(23)29)14-6-7-16-28(26)19-21-9-8-15-27-18-21/h1-5,8-13,15,18H,6-7,14,16-17,19-20H2
InChIKeyUYNGAYXJIMRLRV-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.71
Rot. Bonds3

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

phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone (PubChem CID 134791465) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
PubChem CID134791465
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Namephenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21
InChIInChI=1S/C26H27N3O/c30-25(22-10-2-1-3-11-22)29-20-26(17-23-12-4-5-13-24(23)29)14-6-7-16-28(26)19-21-9-8-15-27-18-21/h1-5,8-13,15,18H,6-7,14,16-17,19-20H2
InChIKeyUYNGAYXJIMRLRV-UHFFFAOYSA-N
XLogP4.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134789983
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
N-[4-(1'-benzylspiro[3,5-dihydro-2H-1-benzazepine-4,2'-piperidine]-1-carbonyl)phenyl]-2-phenylbenzamide
CID 59550567
[(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
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
(3-methylphenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852981
(4-aminophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 10618387
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112

Frequently Asked Questions

What is the IUPAC name of phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The IUPAC name of phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone (CID 134791465) is phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone.
What is the SMILES notation for phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The canonical SMILES for phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone is O=C(c1ccccc1)N1CC2(CCCCN2Cc2cccnc2)Cc2ccccc21.
What is the InChIKey of phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
The InChIKey is UYNGAYXJIMRLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-25(22-10-2-1-3-11-22)29-20-26(17-23-12-4-5-13-24(23)29)14-6-7-16-28(26)19-21-9-8-15-27-18-21/h1-5,8-13,15,18H,6-7,14,16-17,19-20H2.
What are the key properties of phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone?
phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone is sourced from PubChem (CID 134791465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).