3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one

C21H32N4O — CID 155881139

IUPAC3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC(c2nncn2CC2CC2)C2(CCC2)C1
InChIInChI=1S/C21H32N4O/c26-19(9-8-16-4-1-2-5-16)24-13-18(21(14-24)10-3-11-21)20-23-22-15-25(20)12-17-6-7-17/h15-18H,1-14H2
InChIKeyIDOFIEDCDFBFMA-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.75
Rot. Bonds6

About 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one

3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one (PubChem CID 155881139) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one
PubChem CID155881139
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC(c2nncn2CC2CC2)C2(CCC2)C1
InChIInChI=1S/C21H32N4O/c26-19(9-8-16-4-1-2-5-16)24-13-18(21(14-24)10-3-11-21)20-23-22-15-25(20)12-17-6-7-17/h15-18H,1-14H2
InChIKeyIDOFIEDCDFBFMA-UHFFFAOYSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067696
2-(azepan-1-yl)-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067797
4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-ethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 146067774
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methylimidazol-4-yl)methanone
CID 155882297
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
CID 146071709
1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
CID 146071715
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 146067753
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 155882507
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-methoxyethanone
CID 155882181
1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-3-phenylpropan-1-one
CID 146071761
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 146067687
2-(4-ethoxyphenyl)-1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882188

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one (CID 155881139) is 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one is O=C(CCC1CCCC1)N1CC(c2nncn2CC2CC2)C2(CCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one?
The InChIKey is IDOFIEDCDFBFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c26-19(9-8-16-4-1-2-5-16)24-13-18(21(14-24)10-3-11-21)20-23-22-15-25(20)12-17-6-7-17/h15-18H,1-14H2.
What are the key properties of 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one?
3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one is sourced from PubChem (CID 155881139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).