(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one

C21H26N4O2 — CID 124955540

IUPAC(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)Cn3cccn3)CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H26N4O2/c1-23-18(14-17-6-3-2-4-7-17)15-21(20(23)27)8-12-24(13-9-21)19(26)16-25-11-5-10-22-25/h2-7,10-11,18H,8-9,12-16H2,1H3/t18-/m0/s1
InChIKeyFKPCQRKEYBTPME-SFHVURJKSA-N
MW366.46 g/mol
LogP1.97
Rot. Bonds4

About (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one

(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124955540) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID124955540
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)Cn3cccn3)CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H26N4O2/c1-23-18(14-17-6-3-2-4-7-17)15-21(20(23)27)8-12-24(13-9-21)19(26)16-25-11-5-10-22-25/h2-7,10-11,18H,8-9,12-16H2,1H3/t18-/m0/s1
InChIKeyFKPCQRKEYBTPME-SFHVURJKSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-benzyl-2-methyl-8-(2-piperidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124974283
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 124993642
(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124945388
(3S)-3-benzyl-2-methyl-8-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129455594
(3S)-3-[(4-fluorophenyl)methyl]-2-methyl-8-(quinoline-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 125018372
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
(2R,3aS,9aS)-2-benzyl-3a-methyl-1-(2-pyrazol-1-ylacetyl)-2,3,4,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 155984070
3-benzyl-8-[4-(2-fluorophenyl)oxane-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 132779807
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one (CID 124955540) is (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(C(=O)Cn3cccn3)CC2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FKPCQRKEYBTPME-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23-18(14-17-6-3-2-4-7-17)15-21(20(23)27)8-12-24(13-9-21)19(26)16-25-11-5-10-22-25/h2-7,10-11,18H,8-9,12-16H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one?
(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 366.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).