N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide

C14H17F2N3O2 — CID 61108163

IUPACN-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(N)c(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c1-8(20)18-9-3-2-4-19(7-9)14(21)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7,17H2,1H3,(H,18,20)
InChIKeyKXEZYZQTOIHODG-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.29
Rot. Bonds2

About N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide

N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide (PubChem CID 61108163) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
PubChem CID61108163
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(N)c(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c1-8(20)18-9-3-2-4-19(7-9)14(21)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7,17H2,1H3,(H,18,20)
InChIKeyKXEZYZQTOIHODG-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-amino-2,4-difluorophenyl)methanone
CID 61109997
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
N-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 113402341
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide (CID 61108163) is N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cc(N)c(F)cc2F)C1.
What is the InChIKey of N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The InChIKey is KXEZYZQTOIHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(20)18-9-3-2-4-19(7-9)14(21)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7,17H2,1H3,(H,18,20).
What are the key properties of N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide?
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide has a molecular weight of 297.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 61108163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).