N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

C16H23F2N3O — CID 71864829

IUPACN-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCCc2cc(F)ccc2F)C1
InChIInChI=1S/C16H23F2N3O/c1-20(2)14-4-3-9-21(11-14)16(22)19-8-7-12-10-13(17)5-6-15(12)18/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyHXWZZQSFMKKUMR-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (PubChem CID 71864829) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
PubChem CID71864829
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCCc2cc(F)ccc2F)C1
InChIInChI=1S/C16H23F2N3O/c1-20(2)14-4-3-9-21(11-14)16(22)19-8-7-12-10-13(17)5-6-15(12)18/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyHXWZZQSFMKKUMR-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (CID 71864829) is N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is CN(C)C1CCCN(C(=O)NCCc2cc(F)ccc2F)C1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The InChIKey is HXWZZQSFMKKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-20(2)14-4-3-9-21(11-14)16(22)19-8-7-12-10-13(17)5-6-15(12)18/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 71864829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).