2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C15H27N5O — CID 66191870

IUPAC2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(CNC(C)(C)C)nn2)CC1
InChIInChI=1S/C15H27N5O/c1-12-5-7-19(8-6-12)14(21)11-20-10-13(17-18-20)9-16-15(2,3)4/h10,12,16H,5-9,11H2,1-4H3
InChIKeyDSZVDLAAOLIEOA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 66191870) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID66191870
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(CNC(C)(C)C)nn2)CC1
InChIInChI=1S/C15H27N5O/c1-12-5-7-19(8-6-12)14(21)11-20-10-13(17-18-20)9-16-15(2,3)4/h10,12,16H,5-9,11H2,1-4H3
InChIKeyDSZVDLAAOLIEOA-UHFFFAOYSA-N
XLogP1.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide
CID 155964363
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192663
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
CID 66193325
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 66191870) is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2cc(CNC(C)(C)C)nn2)CC1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is DSZVDLAAOLIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-5-7-19(8-6-12)14(21)11-20-10-13(17-18-20)9-16-15(2,3)4/h10,12,16H,5-9,11H2,1-4H3.
What are the key properties of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 66191870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).