(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C17H25N5O2 — CID 97146998

IUPAC(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C17H25N5O2/c23-15(10-22-13-18-12-19-22)21-8-6-17(11-21)5-2-7-20(16(17)24)9-14-3-1-4-14/h12-14H,1-11H2/t17-/m1/s1
InChIKeyVHZLSQZEZLBJMM-QGZVFWFLSA-N
MW331.42 g/mol
LogP0.92
Rot. Bonds4

About (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97146998) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97146998
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C17H25N5O2/c23-15(10-22-13-18-12-19-22)21-8-6-17(11-21)5-2-7-20(16(17)24)9-14-3-1-4-14/h12-14H,1-11H2/t17-/m1/s1
InChIKeyVHZLSQZEZLBJMM-QGZVFWFLSA-N
XLogP0.92
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
(5S)-7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122045
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45225712
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852578
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
1-[2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 97150845

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97146998) is (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VHZLSQZEZLBJMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-15(10-22-13-18-12-19-22)21-8-6-17(11-21)5-2-7-20(16(17)24)9-14-3-1-4-14/h12-14H,1-11H2/t17-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 331.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).