N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C15H25N5O3 — CID 72885136

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H25N5O3/c1-4-20-14(16-10-17-20)11(2)18-15(22)12-5-7-19(8-6-12)13(21)9-23-3/h10-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyOUEKNSIKFCXVQG-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.36
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 72885136) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID72885136
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H25N5O3/c1-4-20-14(16-10-17-20)11(2)18-15(22)12-5-7-19(8-6-12)13(21)9-23-3/h10-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyOUEKNSIKFCXVQG-UHFFFAOYSA-N
XLogP0.36
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 72885136) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is CCn1ncnc1C(C)NC(=O)C1CCN(C(=O)COC)CC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is OUEKNSIKFCXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-20-14(16-10-17-20)11(2)18-15(22)12-5-7-19(8-6-12)13(21)9-23-3/h10-12H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 72885136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).