(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone

C15H20F2N2O — CID 107120978

IUPAC(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)cc(N)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)12-8-11(16)9-13(18)14(12)17/h8-10H,2-7,18H2,1H3
InChIKeyFOHLCDSYDXCKOZ-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.20
Rot. Bonds3

About (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone

(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 107120978) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID107120978
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)cc(N)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)12-8-11(16)9-13(18)14(12)17/h8-10H,2-7,18H2,1H3
InChIKeyFOHLCDSYDXCKOZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513
(3-amino-2,5-difluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 107121517
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107120733
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2,5-difluorophenyl)methanone
CID 107120588
(3-amino-2,5-difluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107121163
(3-amino-2,5-difluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 107121558
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
(3-amino-2,5-difluorophenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210357
(3-amino-2,5-difluorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 107121033

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone (CID 107120978) is (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(F)cc(N)c2F)CC1.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is FOHLCDSYDXCKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)12-8-11(16)9-13(18)14(12)17/h8-10H,2-7,18H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 107120978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).