1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide

C12H20N6O2 — CID 103195300

IUPAC1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cn(CCN)nn2)C1
InChIInChI=1S/C12H20N6O2/c1-14-11(19)9-3-2-5-17(7-9)12(20)10-8-18(6-4-13)16-15-10/h8-9H,2-7,13H2,1H3,(H,14,19)
InChIKeyXXFVPLXFKLDYOF-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.16
Rot. Bonds4

About 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide

1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103195300) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
PubChem CID103195300
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cn(CCN)nn2)C1
InChIInChI=1S/C12H20N6O2/c1-14-11(19)9-3-2-5-17(7-9)12(20)10-8-18(6-4-13)16-15-10/h8-9H,2-7,13H2,1H3,(H,14,19)
InChIKeyXXFVPLXFKLDYOF-UHFFFAOYSA-N
XLogP-1.16
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
CID 154895422
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
[1-(2-aminoethyl)triazol-4-yl]-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 56879098
[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95402752
[1-(2-aminoethyl)triazol-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone;hydrochloride
CID 154897518
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid
CID 116682183
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 119483631
[1-(2-aminoethyl)triazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79938031
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide (CID 103195300) is 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2cn(CCN)nn2)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is XXFVPLXFKLDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-14-11(19)9-3-2-5-17(7-9)12(20)10-8-18(6-4-13)16-15-10/h8-9H,2-7,13H2,1H3,(H,14,19).
What are the key properties of 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide?
1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).