3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C30H39N3O2 — CID 175659156

IUPAC3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CC2)CC1Cc1ccccc1
InChIInChI=1S/C30H39N3O2/c1-29(13-17-32(18-14-29)23-25-11-7-4-8-12-25)27(34)33-19-15-30(16-20-33)22-26(31(2)28(30)35)21-24-9-5-3-6-10-24/h3-12,26H,13-23H2,1-2H3
InChIKeyPNCAUPICRJSAME-UHFFFAOYSA-N
MW473.66 g/mol
LogP4.37
Rot. Bonds5

About 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175659156) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175659156
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CC2)CC1Cc1ccccc1
InChIInChI=1S/C30H39N3O2/c1-29(13-17-32(18-14-29)23-25-11-7-4-8-12-25)27(34)33-19-15-30(16-20-33)22-26(31(2)28(30)35)21-24-9-5-3-6-10-24/h3-12,26H,13-23H2,1-2H3
InChIKeyPNCAUPICRJSAME-UHFFFAOYSA-N
XLogP4.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

(3S)-3-benzyl-2-methyl-8-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129455594
(3S)-3-benzyl-2-methyl-8-(2-piperidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124974283
(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124955540
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 124993642
3-benzyl-8-[4-(2-fluorophenyl)oxane-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 132779807
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
(3R)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990038
(3S)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990039
2-[2-[[(3S)-3-benzyl-2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-tert-butylphenoxy]acetamide
CID 129455973
(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 99718329
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 175659156) is 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CC2)CC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PNCAUPICRJSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-29(13-17-32(18-14-29)23-25-11-7-4-8-12-25)27(34)33-19-15-30(16-20-33)22-26(31(2)28(30)35)21-24-9-5-3-6-10-24/h3-12,26H,13-23H2,1-2H3.
What are the key properties of 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 473.66 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175659156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).