N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide

C11H18N6O2 — CID 63654702

IUPACN-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C11H18N6O2/c12-3-4-13-10(18)8-2-1-5-17(6-8)11(19)9-14-7-15-16-9/h7-8H,1-6,12H2,(H,13,18)(H,14,15,16)
InChIKeyNQEWBGNYJVGRNL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.27
Rot. Bonds4

About N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 63654702) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID63654702
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC NameN-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C11H18N6O2/c12-3-4-13-10(18)8-2-1-5-17(6-8)11(19)9-14-7-15-16-9/h7-8H,1-6,12H2,(H,13,18)(H,14,15,16)
InChIKeyNQEWBGNYJVGRNL-UHFFFAOYSA-N
XLogP-1.27
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide (CID 63654702) is N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2ncn[nH]2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is NQEWBGNYJVGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c12-3-4-13-10(18)8-2-1-5-17(6-8)11(19)9-14-7-15-16-9/h7-8H,1-6,12H2,(H,13,18)(H,14,15,16).
What are the key properties of N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 63654702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).