N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide

C17H22F2N2O3 — CID 111451571

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C17H22F2N2O3/c1-2-15(23)21-8-4-5-11(10-21)17(24)20-9-14(22)16-12(18)6-3-7-13(16)19/h3,6-7,11,14,22H,2,4-5,8-10H2,1H3,(H,20,24)
InChIKeyDMUHDOXMKVFZHV-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 111451571) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID111451571
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC(O)c2c(F)cccc2F)C1
InChIInChI=1S/C17H22F2N2O3/c1-2-15(23)21-8-4-5-11(10-21)17(24)20-9-14(22)16-12(18)6-3-7-13(16)19/h3,6-7,11,14,22H,2,4-5,8-10H2,1H3,(H,20,24)
InChIKeyDMUHDOXMKVFZHV-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 111565698
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide (CID 111451571) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCC(O)c2c(F)cccc2F)C1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is DMUHDOXMKVFZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-2-15(23)21-8-4-5-11(10-21)17(24)20-9-14(22)16-12(18)6-3-7-13(16)19/h3,6-7,11,14,22H,2,4-5,8-10H2,1H3,(H,20,24).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 111451571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).