(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

C19H33N5O2 — CID 46984877

IUPAC(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCN1CCCC(C)(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-5-22-10-6-9-19(4,14-22)17(25)23-11-7-15(8-12-23)24-13-16(20-21-24)18(2,3)26/h13,15,26H,5-12,14H2,1-4H3
InChIKeyPGHAEDVYLPHLMW-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.79
Rot. Bonds4

About (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46984877) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46984877
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCN1CCCC(C)(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-5-22-10-6-9-19(4,14-22)17(25)23-11-7-15(8-12-23)24-13-16(20-21-24)18(2,3)26/h13,15,26H,5-12,14H2,1-4H3
InChIKeyPGHAEDVYLPHLMW-UHFFFAOYSA-N
XLogP1.79
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46992366
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 46999292
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46985698
3-methyl-3-[3-[4-(2-methylbutan-2-yl)triazol-1-yl]azetidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 146153464
(2-methyloxolan-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890418
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
8-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46986310

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 46984877) is (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is CCN1CCCC(C)(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)C1.
What is the InChIKey of (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is PGHAEDVYLPHLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-5-22-10-6-9-19(4,14-22)17(25)23-11-7-15(8-12-23)24-13-16(20-21-24)18(2,3)26/h13,15,26H,5-12,14H2,1-4H3.
What are the key properties of (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46984877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).