1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide

C13H15F2N3O2 — CID 79768262

IUPAC1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2c(F)ccc(N)c2F)C1
InChIInChI=1S/C13H15F2N3O2/c14-8-3-4-9(16)11(15)10(8)13(20)18-5-1-2-7(6-18)12(17)19/h3-4,7H,1-2,5-6,16H2,(H2,17,19)
InChIKeyRKVRTZAOZUZPCJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.88
Rot. Bonds2

About 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide

1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide (PubChem CID 79768262) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
PubChem CID79768262
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2c(F)ccc(N)c2F)C1
InChIInChI=1S/C13H15F2N3O2/c14-8-3-4-9(16)11(15)10(8)13(20)18-5-1-2-7(6-18)12(17)19/h3-4,7H,1-2,5-6,16H2,(H2,17,19)
InChIKeyRKVRTZAOZUZPCJ-UHFFFAOYSA-N
XLogP0.88
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.88
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

(3-amino-2,6-difluorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 79759271
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 79758114
(3-amino-2,6-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
1-(2,3,4-trifluorobenzoyl)piperidine-3-carbothioamide
CID 79749646
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79773364
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide (CID 79768262) is 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2c(F)ccc(N)c2F)C1.
What is the InChIKey of 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is RKVRTZAOZUZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-8-3-4-9(16)11(15)10(8)13(20)18-5-1-2-7(6-18)12(17)19/h3-4,7H,1-2,5-6,16H2,(H2,17,19).
What are the key properties of 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide?
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 79768262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).