2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide

C16H22FN3O3 — CID 69464387

IUPAC2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)[C@H](C)O)CCN1C(N)=O
InChIInChI=1S/C16H22FN3O3/c1-9-7-11(17)3-4-13(9)14-8-12(19-15(22)10(2)21)5-6-20(14)16(18)23/h3-4,7,10,12,14,21H,5-6,8H2,1-2H3,(H2,18,23)(H,19,22)/t10-,12?,14?/m0/s1
InChIKeyHZLVJUJWTDAPJT-JKDOVBDQSA-N
MW323.37 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide (PubChem CID 69464387) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide
PubChem CID69464387
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)[C@H](C)O)CCN1C(N)=O
InChIInChI=1S/C16H22FN3O3/c1-9-7-11(17)3-4-13(9)14-8-12(19-15(22)10(2)21)5-6-20(14)16(18)23/h3-4,7,10,12,14,21H,5-6,8H2,1-2H3,(H2,18,23)(H,19,22)/t10-,12?,14?/m0/s1
InChIKeyHZLVJUJWTDAPJT-JKDOVBDQSA-N
XLogP1.22
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide with MolForge

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Related Compounds

1-(8-fluoro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396210
1-(1-cyclohexyl-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396534
1-(1-cyclohexyl-7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396275
1-(1-cyclohexyl-6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396283
1-(1-cyclohexyl-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396548
US11485731, Example 1BU
CID 142428207
US11485731, Example 1AP
CID 142428278
US11485731, Example 1CM
CID 142428364
4-(2-Methoxy-acetylamino)-piperidine-1-carboxylic acid benzylamide
CID 654664
US11485731, Example 1V
CID 142428212
US11485731, Example 1B
CID 142428352
N-ethyl-N-(2-hydroxyethyl)-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 45208008

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide (CID 69464387) is 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(NC(=O)[C@H](C)O)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide?
The InChIKey is HZLVJUJWTDAPJT-JKDOVBDQSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-9-7-11(17)3-4-13(9)14-8-12(19-15(22)10(2)21)5-6-20(14)16(18)23/h3-4,7,10,12,14,21H,5-6,8H2,1-2H3,(H2,18,23)(H,19,22)/t10-,12?,14?/m0/s1.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-[[(2S)-2-hydroxypropanoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 69464387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).