7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C17H27N5O — CID 72871430

IUPAC7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-9-7-17(12-21)6-3-8-22(16(17)23)10-14-4-2-5-14/h13-14H,2-12H2,1H3
InChIKeyXKFWCZWALINXQJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.43
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72871430) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72871430
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-9-7-17(12-21)6-3-8-22(16(17)23)10-14-4-2-5-14/h13-14H,2-12H2,1H3
InChIKeyXKFWCZWALINXQJ-UHFFFAOYSA-N
XLogP1.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72871430) is 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cnnc1CN1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XKFWCZWALINXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-9-7-17(12-21)6-3-8-22(16(17)23)10-14-4-2-5-14/h13-14H,2-12H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 317.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72871430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).