[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C13H21N5O2 — CID 79316632

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C13H21N5O2/c1-20-9-10-2-4-17(5-3-10)13(19)12-8-18(16-15-12)11-6-14-7-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyPEBLRYPXIOBWJO-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.08
Rot. Bonds4

About [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 79316632) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID79316632
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C13H21N5O2/c1-20-9-10-2-4-17(5-3-10)13(19)12-8-18(16-15-12)11-6-14-7-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyPEBLRYPXIOBWJO-UHFFFAOYSA-N
XLogP-0.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 79612748
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
[1-(azetidin-3-yl)triazol-4-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114797472
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
1-[1-(azetidin-3-yl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 79316304
1-[1-(azetidin-3-yl)triazole-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 79319457
[1-(azetidin-3-yl)triazol-4-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 79316530
cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate
CID 79310176
1-[1-(azetidin-3-yl)triazole-4-carbonyl]azetidine-3-carboxylic acid
CID 79327249
(3S)-1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 81126368
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219846
[1-(azetidin-3-yl)triazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 79316629

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 79316632) is [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cn(C3CNC3)nn2)CC1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is PEBLRYPXIOBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-20-9-10-2-4-17(5-3-10)13(19)12-8-18(16-15-12)11-6-14-7-11/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79316632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).