(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C15H19F2N3O — CID 79759552

IUPAC(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccc(F)c(C(=O)N2CCN(CC3CC3)CC2)c1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)20-7-5-19(6-8-20)9-10-1-2-10/h3-4,10H,1-2,5-9,18H2
InChIKeyFEYNEALAGBNHHD-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.71
Rot. Bonds3

About (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 79759552) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID79759552
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccc(F)c(C(=O)N2CCN(CC3CC3)CC2)c1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)20-7-5-19(6-8-20)9-10-1-2-10/h3-4,10H,1-2,5-9,18H2
InChIKeyFEYNEALAGBNHHD-UHFFFAOYSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
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)-(4-ethylpiperazin-1-yl)methanone
CID 79772864
(3-amino-2,6-difluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79773430
(3-amino-2,6-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79773364
(3-amino-2,6-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79772761
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 79759552) is (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is Nc1ccc(F)c(C(=O)N2CCN(CC3CC3)CC2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is FEYNEALAGBNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-11-3-4-12(18)14(17)13(11)15(21)20-7-5-19(6-8-20)9-10-1-2-10/h3-4,10H,1-2,5-9,18H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 295.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 79759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).