4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide

C16H21F2N3O3 — CID 118788124

IUPAC4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)N2CCC(F)(F)CC2)ccc1OC
InChIInChI=1S/C16H21F2N3O3/c1-3-14(22)20-12-10-11(4-5-13(12)24-2)19-15(23)21-8-6-16(17,18)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVVOALZPLANWFOB-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.31
Rot. Bonds4

About 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide

4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 118788124) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
PubChem CID118788124
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)N2CCC(F)(F)CC2)ccc1OC
InChIInChI=1S/C16H21F2N3O3/c1-3-14(22)20-12-10-11(4-5-13(12)24-2)19-15(23)21-8-6-16(17,18)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVVOALZPLANWFOB-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 74247912
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
CID 118760768
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide (CID 118788124) is 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide is CCC(=O)Nc1cc(NC(=O)N2CCC(F)(F)CC2)ccc1OC.
What is the InChIKey of 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is VVOALZPLANWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-3-14(22)20-12-10-11(4-5-13(12)24-2)19-15(23)21-8-6-16(17,18)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide?
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 118788124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).