1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone

C20H24N4O3 — CID 46982872

IUPAC1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C20H24N4O3/c25-20(15-5-6-18-19(11-15)27-13-26-18)23-9-7-16(8-10-23)24-12-17(21-22-24)14-3-1-2-4-14/h5-6,11-12,14,16H,1-4,7-10,13H2
InChIKeyNBUKKKJKGXFISJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.14
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 46982872) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID46982872
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C20H24N4O3/c25-20(15-5-6-18-19(11-15)27-13-26-18)23-9-7-16(8-10-23)24-12-17(21-22-24)14-3-1-2-4-14/h5-6,11-12,14,16H,1-4,7-10,13H2
InChIKeyNBUKKKJKGXFISJ-UHFFFAOYSA-N
XLogP3.14
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42192175
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 124728173
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558
2-(1,3-benzodioxol-5-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190121
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892116
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
1,3-benzodioxol-5-yl-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]methanone
CID 16668514
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 46992385
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
1,3-benzothiazol-6-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 119103974

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone (CID 46982872) is 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is NBUKKKJKGXFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-20(15-5-6-18-19(11-15)27-13-26-18)23-9-7-16(8-10-23)24-12-17(21-22-24)14-3-1-2-4-14/h5-6,11-12,14,16H,1-4,7-10,13H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46982872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).