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

C15H17N5O3 — CID 121165123

IUPACN-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H17N5O3/c21-15(18-11-1-2-13-14(9-11)23-10-22-13)19-7-3-12(4-8-19)20-16-5-6-17-20/h1-2,5-6,9,12H,3-4,7-8,10H2,(H,18,21)
InChIKeyMTXVVACTYKDUAG-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.88
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165123) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165123
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H17N5O3/c21-15(18-11-1-2-13-14(9-11)23-10-22-13)19-7-3-12(4-8-19)20-16-5-6-17-20/h1-2,5-6,9,12H,3-4,7-8,10H2,(H,18,21)
InChIKeyMTXVVACTYKDUAG-UHFFFAOYSA-N
XLogP1.88
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165123) is N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is MTXVVACTYKDUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-15(18-11-1-2-13-14(9-11)23-10-22-13)19-7-3-12(4-8-19)20-16-5-6-17-20/h1-2,5-6,9,12H,3-4,7-8,10H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.88, 2 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-yl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).