4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C19H23F3N4O — CID 155871135

IUPAC4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)14-24-17(27)18(26-13-9-23-15-26)7-11-25(12-8-18)10-6-16-4-2-1-3-5-16/h1-5,9,13,15H,6-8,10-12,14H2,(H,24,27)
InChIKeyNTCDPPSSDOCWBJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.60
Rot. Bonds6

About 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155871135) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155871135
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)14-24-17(27)18(26-13-9-23-15-26)7-11-25(12-8-18)10-6-16-4-2-1-3-5-16/h1-5,9,13,15H,6-8,10-12,14H2,(H,24,27)
InChIKeyNTCDPPSSDOCWBJ-UHFFFAOYSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
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-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874391
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155871135) is 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is NTCDPPSSDOCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c20-19(21,22)14-24-17(27)18(26-13-9-23-15-26)7-11-25(12-8-18)10-6-16-4-2-1-3-5-16/h1-5,9,13,15H,6-8,10-12,14H2,(H,24,27).
What are the key properties of 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155871135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).