N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide

C16H21N5O2 — CID 121151383

IUPACN-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-23-15-6-4-3-5-14(15)18-16(22)20-10-7-13(8-11-20)21-12-9-17-19-21/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,18,22)
InChIKeyIGMMSKCBQIKYPJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.55
Rot. Bonds4

About N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide (PubChem CID 121151383) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
PubChem CID121151383
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-23-15-6-4-3-5-14(15)18-16(22)20-10-7-13(8-11-20)21-12-9-17-19-21/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,18,22)
InChIKeyIGMMSKCBQIKYPJ-UHFFFAOYSA-N
XLogP2.55
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91916489
[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121151312
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide (CID 121151383) is N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(n2ccnn2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is IGMMSKCBQIKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-23-15-6-4-3-5-14(15)18-16(22)20-10-7-13(8-11-20)21-12-9-17-19-21/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,18,22).
What are the key properties of N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121151383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).