(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C18H23N5O2 — CID 97149053

IUPAC(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1=O
InChIInChI=1S/C18H23N5O2/c1-12(2)23-8-3-6-18(17(23)25)7-9-22(11-18)16(24)13-4-5-14-15(10-13)20-21-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,20,21)/t18-/m1/s1
InChIKeyBDRFFGBTRXUTDK-GOSISDBHSA-N
MW341.42 g/mol
LogP1.82
Rot. Bonds2

About (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97149053) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97149053
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1=O
InChIInChI=1S/C18H23N5O2/c1-12(2)23-8-3-6-18(17(23)25)7-9-22(11-18)16(24)13-4-5-14-15(10-13)20-21-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,20,21)/t18-/m1/s1
InChIKeyBDRFFGBTRXUTDK-GOSISDBHSA-N
XLogP1.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-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

(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5R)-7-propan-2-yl-2-(3-prop-2-enoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148863
7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72840672
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97141632
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97149053) is (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1=O.
What is the InChIKey of (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BDRFFGBTRXUTDK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)23-8-3-6-18(17(23)25)7-9-22(11-18)16(24)13-4-5-14-15(10-13)20-21-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,20,21)/t18-/m1/s1.
What are the key properties of (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 341.42 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97149053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).