3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one

C16H24F3N5O2 — CID 72862320

IUPAC3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H24F3N5O2/c1-22-13(11-23-6-8-26-9-7-23)20-21-15(22)12-2-4-24(5-3-12)14(25)10-16(17,18)19/h12H,2-11H2,1H3
InChIKeyCDFCGGNZVRYKLE-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.31
Rot. Bonds4

About 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 72862320) has the molecular formula C16H24F3N5O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID72862320
Molecular FormulaC16H24F3N5O2
Molecular Weight375.40 g/mol
Exact Mass375.19
IUPAC Name3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H24F3N5O2/c1-22-13(11-23-6-8-26-9-7-23)20-21-15(22)12-2-4-24(5-3-12)14(25)10-16(17,18)19/h12H,2-11H2,1H3
InChIKeyCDFCGGNZVRYKLE-UHFFFAOYSA-N
XLogP1.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53609283
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70708723
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(propoxyacetyl)piperidine
CID 70714643
4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
2-[({5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70740870
4-({1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoyl]-4-piperidinyl}methyl)morpholine
CID 70745281
2-[methyl({4-methyl-5-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70754917
4-({5-[1-(cyclopentylcarbonyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70757749
4-({5-[1-(3-cyclopropylpropanoyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70774416
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
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one (CID 72862320) is 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one is Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CDFCGGNZVRYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O2/c1-22-13(11-23-6-8-26-9-7-23)20-21-15(22)12-2-4-24(5-3-12)14(25)10-16(17,18)19/h12H,2-11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 375.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 72862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).