N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide

C17H24F2N2O3 — CID 51091257

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(C)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-3-23-14-8-10-21(11-9-14)17(22)20-12(2)13-4-6-15(7-5-13)24-16(18)19/h4-7,12,14,16H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyFJECNVBYNXJOEE-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.56
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide (PubChem CID 51091257) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
PubChem CID51091257
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(C)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-3-23-14-8-10-21(11-9-14)17(22)20-12(2)13-4-6-15(7-5-13)24-16(18)19/h4-7,12,14,16H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyFJECNVBYNXJOEE-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
CID 94871502
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
N-[1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123762188
1-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 86922947

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide (CID 51091257) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)NC(C)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide?
The InChIKey is FJECNVBYNXJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-3-23-14-8-10-21(11-9-14)17(22)20-12(2)13-4-6-15(7-5-13)24-16(18)19/h4-7,12,14,16H,3,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 51091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).