3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H19F3N4O2 — CID 155874031

IUPAC3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-11(22)20-6-3-4-13(9-20,21-7-5-18-10-21)12(23)19-8-14(15,16)17/h5,7,10H,2-4,6,8-9H2,1H3,(H,19,23)
InChIKeySOFJLUBMGAVKPD-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.29
Rot. Bonds4

About 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 155874031) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID155874031
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-11(22)20-6-3-4-13(9-20,21-7-5-18-10-21)12(23)19-8-14(15,16)17/h5,7,10H,2-4,6,8-9H2,1H3,(H,19,23)
InChIKeySOFJLUBMGAVKPD-UHFFFAOYSA-N
XLogP1.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874391
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155875530
4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155858208
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
CID 155871687
3-imidazol-1-yl-N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxamide
CID 155878712
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
CID 155873466
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 155874031) is 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1.
What is the InChIKey of 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is SOFJLUBMGAVKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-2-11(22)20-6-3-4-13(9-20,21-7-5-18-10-21)12(23)19-8-14(15,16)17/h5,7,10H,2-4,6,8-9H2,1H3,(H,19,23).
What are the key properties of 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155874031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).