(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C17H18Cl2N4O2 — CID 11589015

IUPAC(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-25-15-4-2-3-14(21-15)22-5-7-23(8-6-22)17(24)11-9-12(18)16(20)13(19)10-11/h2-4,9-10H,5-8,20H2,1H3
InChIKeyHGBYXISOCNGFNT-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.94
Rot. Bonds3

About (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone

(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 11589015) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID11589015
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-25-15-4-2-3-14(21-15)22-5-7-23(8-6-22)17(24)11-9-12(18)16(20)13(19)10-11/h2-4,9-10H,5-8,20H2,1H3
InChIKeyHGBYXISOCNGFNT-UHFFFAOYSA-N
XLogP2.94
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 11589015) is (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)n1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is HGBYXISOCNGFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-25-15-4-2-3-14(21-15)22-5-7-23(8-6-22)17(24)11-9-12(18)16(20)13(19)10-11/h2-4,9-10H,5-8,20H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 381.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 11589015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).