[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone

C25H36N2O — CID 25012000

IUPAC[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)CCN1CCC2(CC=C(C(=O)N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C25H36N2O/c1-24(2,3)12-17-26-18-13-25(14-19-26)11-10-21(20-8-4-5-9-22(20)25)23(28)27-15-6-7-16-27/h4-5,8-10H,6-7,11-19H2,1-3H3
InChIKeyDTINHLALWFBPIR-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.87
Rot. Bonds3

About [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone

[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25012000) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID25012000
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)CCN1CCC2(CC=C(C(=O)N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C25H36N2O/c1-24(2,3)12-17-26-18-13-25(14-19-26)11-10-21(20-8-4-5-9-22(20)25)23(28)27-15-6-7-16-27/h4-5,8-10H,6-7,11-19H2,1-3H3
InChIKeyDTINHLALWFBPIR-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

Sameridine
CID 65996
Spiro-carboxamide scaffold, 13
CID 44143299
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
Spiro-carboxamide scaffold, 12
CID 44143298
1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
CID 9997379
1-[2-(2-Phenylethyl)benzoyl]pyrrolidine
CID 1254221
1-(2,3-Diphenylacryloyl)piperidine
CID 1208524
1-(2-Biphenylylcarbonyl)pyrrolidine
CID 976217
Rac-8-[1-(2-methyl-propenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11245541
2-(2-Methylphenyl)-1-pyrrolidin-1-ylethanone
CID 6470987

Frequently Asked Questions

What is the IUPAC name of [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone (CID 25012000) is [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)CCN1CCC2(CC=C(C(=O)N3CCCC3)c3ccccc32)CC1.
What is the InChIKey of [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DTINHLALWFBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-24(2,3)12-17-26-18-13-25(14-19-26)11-10-21(20-8-4-5-9-22(20)25)23(28)27-15-6-7-16-27/h4-5,8-10H,6-7,11-19H2,1-3H3.
What are the key properties of [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone?
[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 380.58 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25012000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).