N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H21F3N4O2 — CID 129345714

IUPACN-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C15H21F3N4O2/c1-10(23)20-12-4-5-13(15(16,17)18)22(9-12)14(24)6-3-11-7-19-21(2)8-11/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyNWFLJGHDDMFQIA-STQMWFEESA-N
MW346.35 g/mol
LogP1.41
Rot. Bonds4

About N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345714) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345714
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2cnn(C)c2)C1
InChIInChI=1S/C15H21F3N4O2/c1-10(23)20-12-4-5-13(15(16,17)18)22(9-12)14(24)6-3-11-7-19-21(2)8-11/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyNWFLJGHDDMFQIA-STQMWFEESA-N
XLogP1.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989498
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491835
1-[4-(methylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 175658528
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 124726107
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
(2S,4R)-4-amino-N-ethyl-1-[3-(1-methylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154895606
N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989597
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345714) is N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2cnn(C)c2)C1.
What is the InChIKey of N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is NWFLJGHDDMFQIA-STQMWFEESA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10(23)20-12-4-5-13(15(16,17)18)22(9-12)14(24)6-3-11-7-19-21(2)8-11/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).