2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide

C16H22FN3O3 — CID 69464389

IUPAC2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C(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)
InChIKeyHZLVJUJWTDAPJT-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide (PubChem CID 69464389) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide
PubChem CID69464389
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)C(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)
InChIKeyHZLVJUJWTDAPJT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide (CID 69464389) is 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(NC(=O)C(C)O)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide?
The InChIKey is HZLVJUJWTDAPJT-UHFFFAOYSA-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).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-(2-hydroxypropanoylamino)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-(2-hydroxypropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 69464389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).