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

C17H27N5O — CID 72858894

IUPAC7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-10-8-17(12-21)7-4-9-22(16(17)23)14-5-2-3-6-14/h13-14H,2-12H2,1H3
InChIKeyGNIWGGNAHVOZIJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.57
Rot. Bonds3

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

7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72858894) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72858894
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-10-8-17(12-21)7-4-9-22(16(17)23)14-5-2-3-6-14/h13-14H,2-12H2,1H3
InChIKeyGNIWGGNAHVOZIJ-UHFFFAOYSA-N
XLogP1.57
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72858894) is 7-cyclopentyl-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-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cnnc1CN1CCC2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GNIWGGNAHVOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20-13-18-19-15(20)11-21-10-8-17(12-21)7-4-9-22(16(17)23)14-5-2-3-6-14/h13-14H,2-12H2,1H3.
What are the key properties of 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-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 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72858894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).