3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide

C16H21F2N3O2 — CID 75369485

IUPAC3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESNC(=O)CC1CCCCN1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2N3O2/c17-13-5-4-11(9-14(13)18)20-16(23)6-8-21-7-2-1-3-12(21)10-15(19)22/h4-5,9,12H,1-3,6-8,10H2,(H2,19,22)(H,20,23)
InChIKeyNPDFQLSQCXVTHC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.02
Rot. Bonds6

About 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide

3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide (PubChem CID 75369485) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
PubChem CID75369485
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESNC(=O)CC1CCCCN1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2N3O2/c17-13-5-4-11(9-14(13)18)20-16(23)6-8-21-7-2-1-3-12(21)10-15(19)22/h4-5,9,12H,1-3,6-8,10H2,(H2,19,22)(H,20,23)
InChIKeyNPDFQLSQCXVTHC-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide (CID 75369485) is 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide is NC(=O)CC1CCCCN1CCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is NPDFQLSQCXVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c17-13-5-4-11(9-14(13)18)20-16(23)6-8-21-7-2-1-3-12(21)10-15(19)22/h4-5,9,12H,1-3,6-8,10H2,(H2,19,22)(H,20,23).
What are the key properties of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide?
3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 325.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 75369485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).