2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H21F3N4O2 — CID 75430289

IUPAC2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccnc1C(O)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C14H21F3N4O2/c1-20-6-4-18-13(20)12(23)10-3-2-5-21(7-10)8-11(22)19-9-14(15,16)17/h4,6,10,12,23H,2-3,5,7-9H2,1H3,(H,19,22)
InChIKeyHPTYLZCBRCQGRI-UHFFFAOYSA-N
MW334.34 g/mol
LogP0.84
Rot. Bonds5

About 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75430289) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75430289
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccnc1C(O)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C14H21F3N4O2/c1-20-6-4-18-13(20)12(23)10-3-2-5-21(7-10)8-11(22)19-9-14(15,16)17/h4,6,10,12,23H,2-3,5,7-9H2,1H3,(H,19,22)
InChIKeyHPTYLZCBRCQGRI-UHFFFAOYSA-N
XLogP0.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 71914042
tert-butyl 3-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carboxylate
CID 91659887
N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 91796843
N-[(2S)-2-ethyl-2,5-dihydroxypentyl]-1-methylimidazole-2-carboxamide
CID 125524192
N-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021620
N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021794
(3R)-3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 122546696
3-Hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one
CID 154967396
3-[1-(Difluoromethyl)imidazol-2-yl]-3-hydroxy-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 162569400
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 47092661
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 48170837
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 48171348

Frequently Asked Questions

What is the IUPAC name of 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 75430289) is 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cn1ccnc1C(O)C1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HPTYLZCBRCQGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-20-6-4-18-13(20)12(23)10-3-2-5-21(7-10)8-11(22)19-9-14(15,16)17/h4,6,10,12,23H,2-3,5,7-9H2,1H3,(H,19,22).
What are the key properties of 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75430289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).