N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide

C17H23FN2O3 — CID 46942789

IUPACN-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-4-19-16(22)17(2)8-5-9-20(11-17)15(21)12-6-7-14(23-3)13(18)10-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyZSTFDWMRUILWQQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.21
Rot. Bonds4

About N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide

N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide (PubChem CID 46942789) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
PubChem CID46942789
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-4-19-16(22)17(2)8-5-9-20(11-17)15(21)12-6-7-14(23-3)13(18)10-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyZSTFDWMRUILWQQ-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 46948300
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
[(4aR,8aR)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 97363235
ethyl 1-(3-fluoro-4-methoxybenzoyl)-2-methylpyrrolidine-2-carboxylate
CID 46943819
ethyl (3R)-3-[(2,4-difluorophenyl)methyl]-1-(3-fluoro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 42393007
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 46943736
(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide (CID 46942789) is N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide is CCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is ZSTFDWMRUILWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-4-19-16(22)17(2)8-5-9-20(11-17)15(21)12-6-7-14(23-3)13(18)10-12/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46942789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).