methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate

C12H19N5O4 — CID 112531885

IUPACmethyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C12H19N5O4/c1-21-12(20)14-10-6-13-17(15-10)7-11(19)16-5-3-2-4-9(16)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,20)
InChIKeyGISYIQIFLVNMBG-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.17
Rot. Bonds4

About methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112531885) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112531885
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Namemethyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C12H19N5O4/c1-21-12(20)14-10-6-13-17(15-10)7-11(19)16-5-3-2-4-9(16)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,20)
InChIKeyGISYIQIFLVNMBG-UHFFFAOYSA-N
XLogP-0.17
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
methyl 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[2-(hydroxymethyl)azepan-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 116635996
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524871
1-[2-(hydroxymethyl)azepan-1-yl]-4-methoxybutan-1-one
CID 116635836

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate (CID 112531885) is methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cnn(CC(=O)N2CCCCC2CO)n1.
What is the InChIKey of methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is GISYIQIFLVNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-21-12(20)14-10-6-13-17(15-10)7-11(19)16-5-3-2-4-9(16)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,20).
What are the key properties of methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 297.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112531885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).