1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide

C12H20N6O2 — CID 115459404

IUPAC1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H20N6O2/c1-8-2-3-9(12(14)20)5-18(8)11(19)7-17-6-10(4-13)15-16-17/h6,8-9H,2-5,7,13H2,1H3,(H2,14,20)
InChIKeyMSIKGTBYZHQTDC-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.15
Rot. Bonds4

About 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 115459404) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID115459404
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H20N6O2/c1-8-2-3-9(12(14)20)5-18(8)11(19)7-17-6-10(4-13)15-16-17/h6,8-9H,2-5,7,13H2,1H3,(H2,14,20)
InChIKeyMSIKGTBYZHQTDC-UHFFFAOYSA-N
XLogP-1.15
TPSA120.13 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 ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-amino-3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735110
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 115459017
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176
4-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-3-methylpiperazine-2,6-dione
CID 115460051
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459499
(2S,4S)-1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide (CID 115459404) is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is MSIKGTBYZHQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-8-2-3-9(12(14)20)5-18(8)11(19)7-17-6-10(4-13)15-16-17/h6,8-9H,2-5,7,13H2,1H3,(H2,14,20).
What are the key properties of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide?
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 115459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).