2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide

C18H22F2N4O2 — CID 97270306

IUPAC2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C18H22F2N4O2/c19-18(20)26-15-6-2-1-4-13(15)10-23-8-3-5-14(11-23)17-22-7-9-24(17)12-16(21)25/h1-2,4,6-7,9,14,18H,3,5,8,10-12H2,(H2,21,25)/t14-/m0/s1
InChIKeyHOMABUCWKUBOAR-AWEZNQCLSA-N
MW364.40 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97270306) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97270306
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C18H22F2N4O2/c19-18(20)26-15-6-2-1-4-13(15)10-23-8-3-5-14(11-23)17-22-7-9-24(17)12-16(21)25/h1-2,4,6-7,9,14,18H,3,5,8,10-12H2,(H2,21,25)/t14-/m0/s1
InChIKeyHOMABUCWKUBOAR-AWEZNQCLSA-N
XLogP2.35
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867328
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276544
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97270306) is 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is HOMABUCWKUBOAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c19-18(20)26-15-6-2-1-4-13(15)10-23-8-3-5-14(11-23)17-22-7-9-24(17)12-16(21)25/h1-2,4,6-7,9,14,18H,3,5,8,10-12H2,(H2,21,25)/t14-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97270306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).