N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

C16H23Cl2N3O2 — CID 121496893

IUPACN-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O2/c1-12-9-13(17)10-15(18)14(12)11-19-16(22)21-5-3-20(4-6-21)7-8-23-2/h9-10H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyCVGHAEXQYDWEFP-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.78
Rot. Bonds5

About N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 121496893) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID121496893
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC NameN-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O2/c1-12-9-13(17)10-15(18)14(12)11-19-16(22)21-5-3-20(4-6-21)7-8-23-2/h9-10H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyCVGHAEXQYDWEFP-UHFFFAOYSA-N
XLogP2.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105167
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105019
N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104934
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 121496893) is N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is CVGHAEXQYDWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-12-9-13(17)10-15(18)14(12)11-19-16(22)21-5-3-20(4-6-21)7-8-23-2/h9-10H,3-8,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 360.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 121496893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).