(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide

C16H21FN2O4 — CID 129483290

IUPAC(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCOc2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O4/c1-12(20)19-8-3-6-16(22,11-19)15(21)18-7-9-23-14-5-2-4-13(17)10-14/h2,4-5,10,22H,3,6-9,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyDKUQKSMGVYVCES-INIZCTEOSA-N
MW324.35 g/mol
LogP0.69
Rot. Bonds5

About (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129483290) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129483290
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCOc2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O4/c1-12(20)19-8-3-6-16(22,11-19)15(21)18-7-9-23-14-5-2-4-13(17)10-14/h2,4-5,10,22H,3,6-9,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyDKUQKSMGVYVCES-INIZCTEOSA-N
XLogP0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128988868
(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
CID 128987745
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 129487146

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 129483290) is (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCC[C@@](O)(C(=O)NCCOc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is DKUQKSMGVYVCES-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-12(20)19-8-3-6-16(22,11-19)15(21)18-7-9-23-14-5-2-4-13(17)10-14/h2,4-5,10,22H,3,6-9,11H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129483290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).