2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone

C14H20Cl2N4O — CID 61017271

IUPAC2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cc(Cl)c(CN(C)CC(=O)N2CCNCC2)c(Cl)n1
InChIInChI=1S/C14H20Cl2N4O/c1-10-7-12(15)11(14(16)18-10)8-19(2)9-13(21)20-5-3-17-4-6-20/h7,17H,3-6,8-9H2,1-2H3
InChIKeyKNLOJFMWSKDVFS-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.56
Rot. Bonds4

About 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 61017271) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID61017271
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cc(Cl)c(CN(C)CC(=O)N2CCNCC2)c(Cl)n1
InChIInChI=1S/C14H20Cl2N4O/c1-10-7-12(15)11(14(16)18-10)8-19(2)9-13(21)20-5-3-17-4-6-20/h7,17H,3-6,8-9H2,1-2H3
InChIKeyKNLOJFMWSKDVFS-UHFFFAOYSA-N
XLogP1.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 79156397
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[(4-bromo-5-chlorothiophen-2-yl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 102841504
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(3-chloro-4-nitrophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120835856
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 61017271) is 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone is Cc1cc(Cl)c(CN(C)CC(=O)N2CCNCC2)c(Cl)n1.
What is the InChIKey of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is KNLOJFMWSKDVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O/c1-10-7-12(15)11(14(16)18-10)8-19(2)9-13(21)20-5-3-17-4-6-20/h7,17H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 331.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).