[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone

C14H23N5O2 — CID 118782933

IUPAC[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3cn[nH]n3)CC2)C[C@H](C)O1
InChIInChI=1S/C14H23N5O2/c1-10-8-19(9-11(2)21-10)12-3-5-18(6-4-12)14(20)13-7-15-17-16-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,15,16,17)/t10-,11+
InChIKeyPVNICSRSVOZJNT-PHIMTYICSA-N
MW293.37 g/mol
LogP0.52
Rot. Bonds2

About [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 118782933) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID118782933
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3cn[nH]n3)CC2)C[C@H](C)O1
InChIInChI=1S/C14H23N5O2/c1-10-8-19(9-11(2)21-10)12-3-5-18(6-4-12)14(20)13-7-15-17-16-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,15,16,17)/t10-,11+
InChIKeyPVNICSRSVOZJNT-PHIMTYICSA-N
XLogP0.52
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone with MolForge

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 70743743
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 118782933) is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone is C[C@@H]1CN(C2CCN(C(=O)c3cn[nH]n3)CC2)C[C@H](C)O1.
What is the InChIKey of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is PVNICSRSVOZJNT-PHIMTYICSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-8-19(9-11(2)21-10)12-3-5-18(6-4-12)14(20)13-7-15-17-16-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,15,16,17)/t10-,11+.
What are the key properties of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone?
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 118782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).