N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide

C16H21F2N3O2 — CID 118768211

IUPACN-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H21F2N3O2/c1-2-4-14(22)19-12-5-3-6-13(11-12)20-15(23)21-9-7-16(17,18)8-10-21/h3,5-6,11H,2,4,7-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXWTSEIJWDOTKBU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.69
Rot. Bonds4

About N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide

N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 118768211) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID118768211
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H21F2N3O2/c1-2-4-14(22)19-12-5-3-6-13(11-12)20-15(23)21-9-7-16(17,18)8-10-21/h3,5-6,11H,2,4,7-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXWTSEIJWDOTKBU-UHFFFAOYSA-N
XLogP3.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 118788124
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
CID 23071817
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-[3-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]butanamide
CID 111738800
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide (CID 118768211) is N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide is CCCC(=O)Nc1cccc(NC(=O)N2CCC(F)(F)CC2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is XWTSEIJWDOTKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-2-4-14(22)19-12-5-3-6-13(11-12)20-15(23)21-9-7-16(17,18)8-10-21/h3,5-6,11H,2,4,7-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide?
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 118768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).