4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide

C20H34N6O2 — CID 31192314

IUPAC4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(n2cc(CN3CCOC4(CCCC4)C3)nn2)CC1
InChIInChI=1S/C20H34N6O2/c1-2-9-21-19(27)25-10-5-18(6-11-25)26-15-17(22-23-26)14-24-12-13-28-20(16-24)7-3-4-8-20/h15,18H,2-14,16H2,1H3,(H,21,27)
InChIKeyUDKWSFCOQVOMNP-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.18
Rot. Bonds5

About 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide

4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 31192314) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
PubChem CID31192314
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(n2cc(CN3CCOC4(CCCC4)C3)nn2)CC1
InChIInChI=1S/C20H34N6O2/c1-2-9-21-19(27)25-10-5-18(6-11-25)26-15-17(22-23-26)14-24-12-13-28-20(16-24)7-3-4-8-20/h15,18H,2-14,16H2,1H3,(H,21,27)
InChIKeyUDKWSFCOQVOMNP-UHFFFAOYSA-N
XLogP2.18
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
CID 46982570
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
(2-methyloxolan-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890418
4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 30882220
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077
[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 31017774
[(1S,2R)-2-butylcyclopropyl]-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171687025
N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide
CID 125239207

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide (CID 31192314) is 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(n2cc(CN3CCOC4(CCCC4)C3)nn2)CC1.
What is the InChIKey of 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide?
The InChIKey is UDKWSFCOQVOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-2-9-21-19(27)25-10-5-18(6-11-25)26-15-17(22-23-26)14-24-12-13-28-20(16-24)7-3-4-8-20/h15,18H,2-14,16H2,1H3,(H,21,27).
What are the key properties of 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide?
4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 31192314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).