[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H25F2N5O2 — CID 127906204

IUPAC[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cnnc1C1CCCN(C(=O)C2COCCN2CC(F)F)C1
InChIInChI=1S/C16H25F2N5O2/c1-2-21-11-19-20-15(21)12-4-3-5-23(8-12)16(24)13-10-25-7-6-22(13)9-14(17)18/h11-14H,2-10H2,1H3
InChIKeyJNSDXKJWEQSXIN-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.97
Rot. Bonds5

About [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 127906204) has the molecular formula C16H25F2N5O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID127906204
Molecular FormulaC16H25F2N5O2
Molecular Weight357.41 g/mol
Exact Mass357.20
IUPAC Name[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cnnc1C1CCCN(C(=O)C2COCCN2CC(F)F)C1
InChIInChI=1S/C16H25F2N5O2/c1-2-21-11-19-20-15(21)12-4-3-5-23(8-12)16(24)13-10-25-7-6-22(13)9-14(17)18/h11-14H,2-10H2,1H3
InChIKeyJNSDXKJWEQSXIN-UHFFFAOYSA-N
XLogP0.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-methyl-2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanamine
CID 70775487
4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
CID 132971174
4-({4-methyl-5-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70731225
4-({4-methyl-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 72862320
3,3,3-trifluoro-1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 95868548
3,3,3-trifluoro-1-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 95868549
1-[3-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]morpholin-4-yl]pentan-1-one
CID 119053076
1-[(3R)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholin-4-yl]pentan-1-one
CID 124728436
1-[(3S)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholin-4-yl]pentan-1-one
CID 124728437
4-(2,2-difluoroethyl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine-3-carboxamide
CID 128408022
4-(1-methyl-4-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)morpholine
CID 50954415
4-{[4-methyl-5-(1-propionylpiperidin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 119067830

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 127906204) is [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCn1cnnc1C1CCCN(C(=O)C2COCCN2CC(F)F)C1.
What is the InChIKey of [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is JNSDXKJWEQSXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N5O2/c1-2-21-11-19-20-15(21)12-4-3-5-23(8-12)16(24)13-10-25-7-6-22(13)9-14(17)18/h11-14H,2-10H2,1H3.
What are the key properties of [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127906204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).