(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H21ClFN3O2 — CID 120627706

IUPAC(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(=O)Nc2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10-7-11(5-6-17-10)15(21)18-9-14(20)19-13-4-2-3-12(16)8-13;/h2-4,8,10-11,17H,5-7,9H2,1H3,(H,18,21)(H,19,20);1H/t10-,11-;/m0./s1
InChIKeyXZTGVPPPVDBXHS-ACMTZBLWSA-N
MW329.80 g/mol
LogP1.69
Rot. Bonds4

About (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120627706) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120627706
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(=O)Nc2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10-7-11(5-6-17-10)15(21)18-9-14(20)19-13-4-2-3-12(16)8-13;/h2-4,8,10-11,17H,5-7,9H2,1H3,(H,18,21)(H,19,20);1H/t10-,11-;/m0./s1
InChIKeyXZTGVPPPVDBXHS-ACMTZBLWSA-N
XLogP1.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
(2S,4S)-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629586
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120617822
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120627706) is (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC(=O)Nc2cccc(F)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XZTGVPPPVDBXHS-ACMTZBLWSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-10-7-11(5-6-17-10)15(21)18-9-14(20)19-13-4-2-3-12(16)8-13;/h2-4,8,10-11,17H,5-7,9H2,1H3,(H,18,21)(H,19,20);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120627706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).