N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

C15H21Cl2N3O — CID 80547728

IUPACN-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C)(C)N2CCNCC2)c1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-10-4-5-11(16)13(12(10)17)19-14(21)15(2,3)20-8-6-18-7-9-20/h4-5,18H,6-9H2,1-3H3,(H,19,21)
InChIKeyMAZJNLAVNXRIDL-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.92
Rot. Bonds3

About N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547728) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547728
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C)(C)N2CCNCC2)c1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-10-4-5-11(16)13(12(10)17)19-14(21)15(2,3)20-8-6-18-7-9-20/h4-5,18H,6-9H2,1-3H3,(H,19,21)
InChIKeyMAZJNLAVNXRIDL-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 107621761
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
N-(2,6-dichloro-3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62211874
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324
N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 81490002
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80547728) is N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is Cc1ccc(Cl)c(NC(=O)C(C)(C)N2CCNCC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is MAZJNLAVNXRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-10-4-5-11(16)13(12(10)17)19-14(21)15(2,3)20-8-6-18-7-9-20/h4-5,18H,6-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 330.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).