1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone

C15H27N5O — CID 66192663

IUPAC1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
SMILESCC(C)CNCc1cn(CC(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)7-16-8-14-10-20(18-17-14)11-15(21)19-6-4-5-13(3)9-19/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyRIEIUKDCHWEIPE-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.28
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone

1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone (PubChem CID 66192663) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
PubChem CID66192663
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
SMILESCC(C)CNCc1cn(CC(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)7-16-8-14-10-20(18-17-14)11-15(21)19-6-4-5-13(3)9-19/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyRIEIUKDCHWEIPE-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192287
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 106220762
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
CID 66192880
2-[4-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698437
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
CID 66193325
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110210643
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone (CID 66192663) is 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone is CC(C)CNCc1cn(CC(=O)N2CCCC(C)C2)nn1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone?
The InChIKey is RIEIUKDCHWEIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)7-16-8-14-10-20(18-17-14)11-15(21)19-6-4-5-13(3)9-19/h10,12-13,16H,4-9,11H2,1-3H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone?
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone is sourced from PubChem (CID 66192663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).