2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

C22H24F2N2O2 — CID 71905638

IUPAC2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCC(O)CC1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C22H24F2N2O2/c23-15-5-6-20(24)18(11-15)17-12-19(17)22(28)25-21-4-2-1-3-14(21)13-26-9-7-16(27)8-10-26/h1-6,11,16-17,19,27H,7-10,12-13H2,(H,25,28)
InChIKeyLSLLJFFVIYZHEJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 71905638) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID71905638
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCC(O)CC1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C22H24F2N2O2/c23-15-5-6-20(24)18(11-15)17-12-19(17)22(28)25-21-4-2-1-3-14(21)13-26-9-7-16(27)8-10-26/h1-6,11,16-17,19,27H,7-10,12-13H2,(H,25,28)
InChIKeyLSLLJFFVIYZHEJ-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 97014213
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110026356
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 99785302
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
1-[[2-[[4-fluoro-2-(trifluoromethylsulfonyl)anilino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326397
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 71905638) is 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1CN1CCC(O)CC1)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is LSLLJFFVIYZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-15-5-6-20(24)18(11-15)17-12-19(17)22(28)25-21-4-2-1-3-14(21)13-26-9-7-16(27)8-10-26/h1-6,11,16-17,19,27H,7-10,12-13H2,(H,25,28).
What are the key properties of 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71905638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).