N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide

C16H23FN4O2 — CID 71868620

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
SMILESCN(C)C(=O)CNC(=O)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H23FN4O2/c1-20(2)15(22)11-18-16(23)21-9-7-12(8-10-21)19-14-6-4-3-5-13(14)17/h3-6,12,19H,7-11H2,1-2H3,(H,18,23)
InChIKeyISCUGEZKQPXHAY-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide (PubChem CID 71868620) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
PubChem CID71868620
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
SMILESCN(C)C(=O)CNC(=O)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H23FN4O2/c1-20(2)15(22)11-18-16(23)21-9-7-12(8-10-21)19-14-6-4-3-5-13(14)17/h3-6,12,19H,7-11H2,1-2H3,(H,18,23)
InChIKeyISCUGEZKQPXHAY-UHFFFAOYSA-N
XLogP1.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 95934076
4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126777276
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
ethyl 4-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111861364
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 18173951
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 71986668

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide (CID 71868620) is N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide is CN(C)C(=O)CNC(=O)N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
The InChIKey is ISCUGEZKQPXHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-20(2)15(22)11-18-16(23)21-9-7-12(8-10-21)19-14-6-4-3-5-13(14)17/h3-6,12,19H,7-11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 71868620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).