(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one

C19H33N3O2 — CID 93147550

IUPAC(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCN1C(=O)[C@H](CC(C)C)NC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C19H33N3O2/c1-4-22-18(24)16(13-14(2)3)20-19(22)9-11-21(12-10-19)17(23)15-7-5-6-8-15/h14-16,20H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyUCRYGNJZYSPVCM-INIZCTEOSA-N
MW335.49 g/mol
LogP2.36
Rot. Bonds4

About (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one

(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 93147550) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID93147550
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCN1C(=O)[C@H](CC(C)C)NC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C19H33N3O2/c1-4-22-18(24)16(13-14(2)3)20-19(22)9-11-21(12-10-19)17(23)15-7-5-6-8-15/h14-16,20H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyUCRYGNJZYSPVCM-INIZCTEOSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-fluorophenyl)-4-[(2R)-2-methylbutyl]-2-(2-methylpropyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93147598
(2R)-2-[(2S)-butan-2-yl]-4-ethyl-3-oxo-N-propan-2-yl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93146365
(2R)-4-[(2S)-2-methylbutyl]-N-(3-methylphenyl)-2-(2-methylpropyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93147609
(2S)-4-[(2S)-2-methylbutyl]-2-(2-methylpropyl)-8-propylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 97478838
(2R)-2-[(2S)-butan-2-yl]-8-(cyclopentanecarbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146093
(2S)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146507
(2R)-8-ethylsulfonyl-4-(2-methoxyethyl)-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 97478819
8-(cyclohexanecarbonyl)-2-(2-methylsulfanylethyl)-4-[(2-nitrophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67166110
(2S)-2-[(2S)-butan-2-yl]-N-cyclopropyl-4-ethyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93146363
2-[2-(2-methylsulfanylethyl)-3-oxo-8-(propan-2-ylcarbamothioyl)-1,4,8-triazaspiro[4.5]decan-4-yl]acetic acid
CID 87612514
4-[(3,5-dimethylphenyl)methyl]-2-(2-methylpropyl)-8-(4-nitrobenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 67166436
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304

Frequently Asked Questions

What is the IUPAC name of (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one (CID 93147550) is (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one is CCN1C(=O)[C@H](CC(C)C)NC12CCN(C(=O)C1CCCC1)CC2.
What is the InChIKey of (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is UCRYGNJZYSPVCM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-22-18(24)16(13-14(2)3)20-19(22)9-11-21(12-10-19)17(23)15-7-5-6-8-15/h14-16,20H,4-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one?
(2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 335.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-(cyclopentanecarbonyl)-4-ethyl-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 93147550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).