2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one

C25H31N3O2 — CID 154667269

IUPAC2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CC2)C1=O
InChIInChI=1S/C25H31N3O2/c1-26-15-10-25(24(26)30)11-16-27(17-12-25)22-7-5-6-19-18-20(8-9-21(19)22)23(29)28-13-3-2-4-14-28/h5-9,18H,2-4,10-17H2,1H3
InChIKeyYVUCLGNGDZJZRI-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.91
Rot. Bonds2

About 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one

2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 154667269) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID154667269
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CC2)C1=O
InChIInChI=1S/C25H31N3O2/c1-26-15-10-25(24(26)30)11-16-27(17-12-25)22-7-5-6-19-18-20(8-9-21(19)22)23(29)28-13-3-2-4-14-28/h5-9,18H,2-4,10-17H2,1H3
InChIKeyYVUCLGNGDZJZRI-UHFFFAOYSA-N
XLogP3.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 154667248
[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
CID 154667392
2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 154667394
8-(2-acetyl-3-chlorophenyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 167955837
5-methyl-1'-(4-methyl-3-piperidin-1-ylbenzoyl)spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133070771
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
CID 175867076
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 154667269) is 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CC2)C1=O.
What is the InChIKey of 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YVUCLGNGDZJZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-26-15-10-25(24(26)30)11-16-27(17-12-25)22-7-5-6-19-18-20(8-9-21(19)22)23(29)28-13-3-2-4-14-28/h5-9,18H,2-4,10-17H2,1H3.
What are the key properties of 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 405.54 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 154667269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).