N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide

C16H22F2N2O — CID 63128540

IUPACN-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C16H22F2N2O/c1-3-16(6-8-19-9-7-16)15(21)20(2)11-12-4-5-13(17)14(18)10-12/h4-5,10,19H,3,6-9,11H2,1-2H3
InChIKeyXGIWALQWAKZBEO-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.70
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide (PubChem CID 63128540) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
PubChem CID63128540
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C16H22F2N2O/c1-3-16(6-8-19-9-7-16)15(21)20(2)11-12-4-5-13(17)14(18)10-12/h4-5,10,19H,3,6-9,11H2,1-2H3
InChIKeyXGIWALQWAKZBEO-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
CID 146136290
(3S)-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 125147439
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide (CID 63128540) is N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide is CCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CCNCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide?
The InChIKey is XGIWALQWAKZBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-16(6-8-19-9-7-16)15(21)20(2)11-12-4-5-13(17)14(18)10-12/h4-5,10,19H,3,6-9,11H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).