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

C14H21F3N4O2 — CID 97236480

IUPAC2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(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)/t10-,12+/m0/s1
InChIKeyHPTYLZCBRCQGRI-CMPLNLGQSA-N
MW334.34 g/mol
LogP0.84
Rot. Bonds5

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

2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 97236480) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID97236480
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(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)/t10-,12+/m0/s1
InChIKeyHPTYLZCBRCQGRI-CMPLNLGQSA-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-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124619440
(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 97236489
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 95133334
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97236430
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 97236480) is 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cn1ccnc1[C@H](O)[C@H]1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HPTYLZCBRCQGRI-CMPLNLGQSA-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)/t10-,12+/m0/s1.
What are the key properties of 2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S)-3-[(R)-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-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 97236480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).