2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C14H21F3N4O — CID 126801126

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(c2ccn[nH]2)CC1)N(C)CC(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-10(20(2)9-14(15,16)17)13(22)21-7-4-11(5-8-21)12-3-6-18-19-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,18,19)
InChIKeyRGWGWQADLYESSW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.00
Rot. Bonds4

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 126801126) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID126801126
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(c2ccn[nH]2)CC1)N(C)CC(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-10(20(2)9-14(15,16)17)13(22)21-7-4-11(5-8-21)12-3-6-18-19-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,18,19)
InChIKeyRGWGWQADLYESSW-UHFFFAOYSA-N
XLogP2.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2,2-dimethyl-1-[3-(1H-pyrazol-5-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 155518699
tert-butyl 4-(1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 68817960
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927
2-methyl-1-[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 73440518
1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110256008
1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
CID 110270976
1-[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 118740133
6-{[3-(1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}pyridazin-3(2H)-one
CID 56751744
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177681193
N-(methylcarbamoyl)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 51104649
4-(3-isopropyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropanoyl)piperidine
CID 56718824

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 126801126) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCC(c2ccn[nH]2)CC1)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RGWGWQADLYESSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10(20(2)9-14(15,16)17)13(22)21-7-4-11(5-8-21)12-3-6-18-19-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 318.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126801126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).