4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C19H23F3N4O2 — CID 119063880

IUPAC4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C19H23F3N4O2/c20-19(21,22)16-3-1-2-15(12-16)4-7-24-17(27)26-9-5-18(28,6-10-26)13-25-11-8-23-14-25/h1-3,8,11-12,14,28H,4-7,9-10,13H2,(H,24,27)
InChIKeyNRVUOQQUQIJSTQ-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.68
Rot. Bonds5

About 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 119063880) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID119063880
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C19H23F3N4O2/c20-19(21,22)16-3-1-2-15(12-16)4-7-24-17(27)26-9-5-18(28,6-10-26)13-25-11-8-23-14-25/h1-3,8,11-12,14,28H,4-7,9-10,13H2,(H,24,27)
InChIKeyNRVUOQQUQIJSTQ-UHFFFAOYSA-N
XLogP2.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119067663
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
CID 119063968
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657
3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019476
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
CID 70382376
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119068027
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595674
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 119063880) is 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)N1CCC(O)(Cn2ccnc2)CC1.
What is the InChIKey of 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is NRVUOQQUQIJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c20-19(21,22)16-3-1-2-15(12-16)4-7-24-17(27)26-9-5-18(28,6-10-26)13-25-11-8-23-14-25/h1-3,8,11-12,14,28H,4-7,9-10,13H2,(H,24,27).
What are the key properties of 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 119063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).