1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide

C13H22N6O2 — CID 103716377

IUPAC1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ncn[nH]1
InChIInChI=1S/C13H22N6O2/c1-9(11-14-8-15-17-11)16-12(20)10-4-6-19(7-5-10)13(21)18(2)3/h8-10H,4-7H2,1-3H3,(H,16,20)(H,14,15,17)
InChIKeyBULKMYFAZMNQPK-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.38
Rot. Bonds3

About 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 103716377) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID103716377
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ncn[nH]1
InChIInChI=1S/C13H22N6O2/c1-9(11-14-8-15-17-11)16-12(20)10-4-6-19(7-5-10)13(21)18(2)3/h8-10H,4-7H2,1-3H3,(H,16,20)(H,14,15,17)
InChIKeyBULKMYFAZMNQPK-UHFFFAOYSA-N
XLogP0.38
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide (CID 103716377) is 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide is CC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ncn[nH]1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is BULKMYFAZMNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9(11-14-8-15-17-11)16-12(20)10-4-6-19(7-5-10)13(21)18(2)3/h8-10H,4-7H2,1-3H3,(H,16,20)(H,14,15,17).
What are the key properties of 1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.38, 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-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 103716377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).