1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

C17H23FN2O4 — CID 128987481

IUPAC1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1F
InChIInChI=1S/C17H23FN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-15(24-2)14(18)10-13/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22)
InChIKeyPNRHTZNNYBJIOC-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.87
Rot. Bonds5

About 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128987481) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128987481
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1F
InChIInChI=1S/C17H23FN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-15(24-2)14(18)10-13/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22)
InChIKeyPNRHTZNNYBJIOC-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630988
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409
(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485209

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 128987481) is 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is COc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1F.
What is the InChIKey of 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is PNRHTZNNYBJIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-15(24-2)14(18)10-13/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128987481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).