N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide

C16H19N5O3 — CID 121165135

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C16H19N5O3/c22-16(17-10-12-1-2-14-15(9-12)24-11-23-14)20-7-3-13(4-8-20)21-18-5-6-19-21/h1-2,5-6,9,13H,3-4,7-8,10-11H2,(H,17,22)
InChIKeyPUVVXNWGRVUHRS-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.55
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165135) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165135
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C16H19N5O3/c22-16(17-10-12-1-2-14-15(9-12)24-11-23-14)20-7-3-13(4-8-20)21-18-5-6-19-21/h1-2,5-6,9,13H,3-4,7-8,10-11H2,(H,17,22)
InChIKeyPUVVXNWGRVUHRS-UHFFFAOYSA-N
XLogP1.55
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121178356
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
N-(1,3-benzodioxol-5-ylmethyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38268339
N-(1,3-benzodioxol-5-ylmethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 38221399
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105659
N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47849124
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-4-yloxypyrrolidine-1-carboxamide
CID 122160901
4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 38202881
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 91626716
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carboxamide
CID 51134933

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165135) is N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PUVVXNWGRVUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-16(17-10-12-1-2-14-15(9-12)24-11-23-14)20-7-3-13(4-8-20)21-18-5-6-19-21/h1-2,5-6,9,13H,3-4,7-8,10-11H2,(H,17,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).