(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

C14H17Cl2N3O — CID 82833278

IUPAC(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1c(Cl)cc(C(=O)N2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6,17H2
InChIKeyAICJSGKQPQCWAX-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.50
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 82833278) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID82833278
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESNc1c(Cl)cc(C(=O)N2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6,17H2
InChIKeyAICJSGKQPQCWAX-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
(4-amino-3,5-dichlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82813283
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 82832883
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 82833278) is (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is Nc1c(Cl)cc(C(=O)N2CCN(C3CC3)CC2)cc1Cl.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is AICJSGKQPQCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6,17H2.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 314.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 82833278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).