2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

C18H31N5O2 — CID 100841395

IUPAC2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCC[C@@H](Cn3nc(C)nc3C)C2)CCO1
InChIInChI=1S/C18H31N5O2/c1-4-17-12-22(8-9-25-17)18(24)13-21-7-5-6-16(10-21)11-23-15(3)19-14(2)20-23/h16-17H,4-13H2,1-3H3/t16-,17+/m1/s1
InChIKeySAYFQRGNGXBWSQ-SJORKVTESA-N
MW349.48 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (PubChem CID 100841395) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
PubChem CID100841395
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCC[C@@H](Cn3nc(C)nc3C)C2)CCO1
InChIInChI=1S/C18H31N5O2/c1-4-17-12-22(8-9-25-17)18(24)13-21-7-5-6-16(10-21)11-23-15(3)19-14(2)20-23/h16-17H,4-13H2,1-3H3/t16-,17+/m1/s1
InChIKeySAYFQRGNGXBWSQ-SJORKVTESA-N
XLogP1.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 95166143
(3S)-1-(cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95332981
5-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95334783
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 95331668
2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95331816
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95291830
N-cyclopentyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 95346735
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417
(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 124626750
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
(3S)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 129425528
(3S)-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 98761633

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (CID 100841395) is 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is CC[C@H]1CN(C(=O)CN2CCC[C@@H](Cn3nc(C)nc3C)C2)CCO1.
What is the InChIKey of 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The InChIKey is SAYFQRGNGXBWSQ-SJORKVTESA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-17-12-22(8-9-25-17)18(24)13-21-7-5-6-16(10-21)11-23-15(3)19-14(2)20-23/h16-17H,4-13H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone has a molecular weight of 349.48 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100841395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).