8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H28N2O — CID 72880607

IUPAC8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C1CCCC1)CC2
InChIInChI=1S/C20H28N2O/c1-21-19(23)18(16-7-3-2-4-8-16)15-20(21)11-13-22(14-12-20)17-9-5-6-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3
InChIKeyOLEICBJXMFRULM-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.41
Rot. Bonds2

About 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72880607) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72880607
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C1CCCC1)CC2
InChIInChI=1S/C20H28N2O/c1-21-19(23)18(16-7-3-2-4-8-16)15-20(21)11-13-22(14-12-20)17-9-5-6-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3
InChIKeyOLEICBJXMFRULM-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97205793
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72874996
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72880607) is 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C(c2ccccc2)CC12CCN(C1CCCC1)CC2.
What is the InChIKey of 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OLEICBJXMFRULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-21-19(23)18(16-7-3-2-4-8-16)15-20(21)11-13-22(14-12-20)17-9-5-6-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3.
What are the key properties of 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 312.46 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72880607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).