1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide

C19H23N5O4 — CID 42192175

IUPAC1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1
InChIInChI=1S/C19H23N5O4/c1-12(2)20-18(25)15-10-24(22-21-15)14-5-7-23(8-6-14)19(26)13-3-4-16-17(9-13)28-11-27-16/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25)
InChIKeyMBSSZRCLOPJQGN-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.62
Rot. Bonds4

About 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide

1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42192175) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42192175
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1
InChIInChI=1S/C19H23N5O4/c1-12(2)20-18(25)15-10-24(22-21-15)14-5-7-23(8-6-14)19(26)13-3-4-16-17(9-13)28-11-27-16/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25)
InChIKeyMBSSZRCLOPJQGN-UHFFFAOYSA-N
XLogP1.62
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558
1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone
CID 46982872
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198570
1-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26333271
1-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42357932
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
methyl 1-(1,3-benzodioxole-5-carbonyl)-5-oxoazepane-4-carboxylate
CID 84581895
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide (CID 42192175) is 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1.
What is the InChIKey of 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is MBSSZRCLOPJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-12(2)20-18(25)15-10-24(22-21-15)14-5-7-23(8-6-14)19(26)13-3-4-16-17(9-13)28-11-27-16/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25).
What are the key properties of 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42192175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).