1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid

C13H21N5O3 — CID 103248696

IUPAC1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(NCC(=O)N1CCC(C(=O)O)CC1)c1nncn1C
InChIInChI=1S/C13H21N5O3/c1-9(12-16-15-8-17(12)2)14-7-11(19)18-5-3-10(4-6-18)13(20)21/h8-10,14H,3-7H2,1-2H3,(H,20,21)
InChIKeyZDEBUXCHHXYXFQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.21
Rot. Bonds5

About 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103248696) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID103248696
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(NCC(=O)N1CCC(C(=O)O)CC1)c1nncn1C
InChIInChI=1S/C13H21N5O3/c1-9(12-16-15-8-17(12)2)14-7-11(19)18-5-3-10(4-6-18)13(20)21/h8-10,14H,3-7H2,1-2H3,(H,20,21)
InChIKeyZDEBUXCHHXYXFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55038244
[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81413588
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62415302

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid (CID 103248696) is 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid is CC(NCC(=O)N1CCC(C(=O)O)CC1)c1nncn1C.
What is the InChIKey of 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZDEBUXCHHXYXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(12-16-15-8-17(12)2)14-7-11(19)18-5-3-10(4-6-18)13(20)21/h8-10,14H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103248696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).