1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide

C14H24N6O2 — CID 121496252

IUPAC1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCC(C)n1cnnc1CCNC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H24N6O2/c1-10(2)20-9-17-18-12(20)5-6-16-14(22)19-7-3-4-11(8-19)13(15)21/h9-11H,3-8H2,1-2H3,(H2,15,21)(H,16,22)
InChIKeyATKWKYJRQLSLDE-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.31
Rot. Bonds5

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

1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 121496252) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID121496252
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCC(C)n1cnnc1CCNC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H24N6O2/c1-10(2)20-9-17-18-12(20)5-6-16-14(22)19-7-3-4-11(8-19)13(15)21/h9-11H,3-8H2,1-2H3,(H2,15,21)(H,16,22)
InChIKeyATKWKYJRQLSLDE-UHFFFAOYSA-N
XLogP0.31
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435
4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 167819502
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81072984
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 121496771
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide (CID 121496252) is 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide is CC(C)n1cnnc1CCNC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is ATKWKYJRQLSLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-10(2)20-9-17-18-12(20)5-6-16-14(22)19-7-3-4-11(8-19)13(15)21/h9-11H,3-8H2,1-2H3,(H2,15,21)(H,16,22).
What are the key properties of 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 308.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 121496252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).