3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

C17H25FN2O4 — CID 47749624

IUPAC3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2ccc(OCCOC)c(F)c2)C1
InChIInChI=1S/C17H25FN2O4/c1-3-23-14-5-4-8-20(12-14)17(21)19-13-6-7-16(15(18)11-13)24-10-9-22-2/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21)
InChIKeyIXQYEVKQSTVILD-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.88
Rot. Bonds7

About 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 47749624) has the molecular formula C17H25FN2O4 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
PubChem CID47749624
Molecular FormulaC17H25FN2O4
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2ccc(OCCOC)c(F)c2)C1
InChIInChI=1S/C17H25FN2O4/c1-3-23-14-5-4-8-20(12-14)17(21)19-13-6-7-16(15(18)11-13)24-10-9-22-2/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21)
InChIKeyIXQYEVKQSTVILD-UHFFFAOYSA-N
XLogP2.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
CID 71846843
N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide
CID 86845418
(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95614996
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97455461
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide (CID 47749624) is 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide is CCOC1CCCN(C(=O)Nc2ccc(OCCOC)c(F)c2)C1.
What is the InChIKey of 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is IXQYEVKQSTVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4/c1-3-23-14-5-4-8-20(12-14)17(21)19-13-6-7-16(15(18)11-13)24-10-9-22-2/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21).
What are the key properties of 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide?
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 47749624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).