[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C13H20N4O2 — CID 124572044

IUPAC[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESC[C@@]1(C(=O)N2CCC(c3ncn[nH]3)CC2)CCCO1
InChIInChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)17-6-3-10(4-7-17)11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,14,15,16)/t13-/m0/s1
InChIKeyVPXWTHZGGKXLNL-ZDUSSCGKSA-N
MW264.33 g/mol
LogP1.08
Rot. Bonds2

About [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124572044) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID124572044
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESC[C@@]1(C(=O)N2CCC(c3ncn[nH]3)CC2)CCCO1
InChIInChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)17-6-3-10(4-7-17)11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,14,15,16)/t13-/m0/s1
InChIKeyVPXWTHZGGKXLNL-ZDUSSCGKSA-N
XLogP1.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-hydroxycyclohexyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128894652
(2-methyloxolan-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855788
pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 156606511
pyrrolidin-1-yl-[(3S,5S)-5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 133118108
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 82701323
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
CID 126433993
3-ethylsulfanyl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 90648217
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512640
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 138381499

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 124572044) is [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is C[C@@]1(C(=O)N2CCC(c3ncn[nH]3)CC2)CCCO1.
What is the InChIKey of [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VPXWTHZGGKXLNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(5-2-8-19-13)12(18)17-6-3-10(4-7-17)11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,14,15,16)/t13-/m0/s1.
What are the key properties of [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124572044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).