[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone

C26H38N2O — CID 134788181

IUPAC[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC2(CCCN(CC3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C26H38N2O/c29-25(22-11-4-5-12-22)28-20-26(17-23-13-6-7-14-24(23)28)15-8-16-27(19-26)18-21-9-2-1-3-10-21/h6-7,13-14,21-22H,1-5,8-12,15-20H2
InChIKeyYFCHWNOJEZRNSC-UHFFFAOYSA-N
MW394.60 g/mol
LogP5.43
Rot. Bonds3

About [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone

[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone (PubChem CID 134788181) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
PubChem CID134788181
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC2(CCCN(CC3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C26H38N2O/c29-25(22-11-4-5-12-22)28-20-26(17-23-13-6-7-14-24(23)28)15-8-16-27(19-26)18-21-9-2-1-3-10-21/h6-7,13-14,21-22H,1-5,8-12,15-20H2
InChIKeyYFCHWNOJEZRNSC-UHFFFAOYSA-N
XLogP5.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134788894
(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134787655
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
CID 134791170
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
CID 134787321
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134788250
(1-methylpiperidin-4-yl)-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]methanone
CID 134791187
cyclopentyl-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134787285
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134789983
[1'-[(4-chlorophenyl)methyl]spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl]-cyclopentylmethanone
CID 134789733

Frequently Asked Questions

What is the IUPAC name of [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone?
The IUPAC name of [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone (CID 134788181) is [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone?
The canonical SMILES for [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CC2(CCCN(CC3CCCCC3)C2)Cc2ccccc21.
What is the InChIKey of [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone?
The InChIKey is YFCHWNOJEZRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O/c29-25(22-11-4-5-12-22)28-20-26(17-23-13-6-7-14-24(23)28)15-8-16-27(19-26)18-21-9-2-1-3-10-21/h6-7,13-14,21-22H,1-5,8-12,15-20H2.
What are the key properties of [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone?
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone has a molecular weight of 394.60 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 134788181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).