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

C13H22N6O2 — CID 71892968

IUPAC4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CC(N)=O)CC1)c1nncn1C
InChIInChI=1S/C13H22N6O2/c1-9(12-17-15-8-18(12)2)16-13(21)19-5-3-10(4-6-19)7-11(14)20/h8-10H,3-7H2,1-2H3,(H2,14,20)(H,16,21)
InChIKeyMCCXYIXHZYLQMO-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.17
Rot. Bonds4

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

4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 71892968) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID71892968
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CC(N)=O)CC1)c1nncn1C
InChIInChI=1S/C13H22N6O2/c1-9(12-17-15-8-18(12)2)16-13(21)19-5-3-10(4-6-19)7-11(14)20/h8-10H,3-7H2,1-2H3,(H2,14,20)(H,16,21)
InChIKeyMCCXYIXHZYLQMO-UHFFFAOYSA-N
XLogP0.17
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
(3R)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566335
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 97190566
2-(1-ethylpiperidin-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72855447
4-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 97089842
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
4-(2-adamantyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 126430293
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
2-[3-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658850
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 71892968) is 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(CC(N)=O)CC1)c1nncn1C.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is MCCXYIXHZYLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9(12-17-15-8-18(12)2)16-13(21)19-5-3-10(4-6-19)7-11(14)20/h8-10H,3-7H2,1-2H3,(H2,14,20)(H,16,21).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71892968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).