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

C19H29N5O2 — CID 72910316

IUPAC7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1cncn1)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H29N5O2/c25-17(7-3-10-23-15-20-14-21-23)22-12-9-19(13-22)8-4-11-24(18(19)26)16-5-1-2-6-16/h14-16H,1-13H2
InChIKeyGBLCCGSGZLPCDC-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.84
Rot. Bonds5

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

7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72910316) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72910316
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1cncn1)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H29N5O2/c25-17(7-3-10-23-15-20-14-21-23)22-12-9-19(13-22)8-4-11-24(18(19)26)16-5-1-2-6-16/h14-16H,1-13H2
InChIKeyGBLCCGSGZLPCDC-UHFFFAOYSA-N
XLogP1.84
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

1-[3-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53619246
7-methyl-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56743510
7-propyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852632
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
7-(cyclopropylmethyl)-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72913400
7-isopropyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918675
7-(2-methoxyethyl)-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72885864
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
7-methyl-2-[4-(1H-tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56739421
7-(cyclohexylmethyl)-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 45597597
1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one
CID 47778290

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72910316) is 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CCCn1cncn1)N1CCC2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GBLCCGSGZLPCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-17(7-3-10-23-15-20-14-21-23)22-12-9-19(13-22)8-4-11-24(18(19)26)16-5-1-2-6-16/h14-16H,1-13H2.
What are the key properties of 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 359.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72910316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).