1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

C12H20N6O2 — CID 60982932

IUPAC1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C12H20N6O2/c1-17(2)12(20)18-5-3-4-9(7-18)11(19)13-6-10-14-8-15-16-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,15,16)
InChIKeySAXSKGJVYNBKSS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.19
Rot. Bonds3

About 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 60982932) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID60982932
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C12H20N6O2/c1-17(2)12(20)18-5-3-4-9(7-18)11(19)13-6-10-14-8-15-16-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,15,16)
InChIKeySAXSKGJVYNBKSS-UHFFFAOYSA-N
XLogP-0.19
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
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-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
1-(cyclobutylcarbonyl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72902958
1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
CID 95189029
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (CID 60982932) is 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is SAXSKGJVYNBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-17(2)12(20)18-5-3-4-9(7-18)11(19)13-6-10-14-8-15-16-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,14,15,16).
What are the key properties of 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 60982932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).