4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

C17H26ClN3O2 — CID 113110731

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(2)6-7-19-17(22)21-10-8-20(9-11-21)15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyBFIKFZUBXWUCCI-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.23
Rot. Bonds5

About 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide

4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 113110731) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID113110731
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(2)6-7-19-17(22)21-10-8-20(9-11-21)15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyBFIKFZUBXWUCCI-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113109976
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
4-(4-chloro-2,5-dimethoxyphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104137
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
4-(4-bromo-2-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110767

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (CID 113110731) is 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1N1CCN(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is BFIKFZUBXWUCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(2)6-7-19-17(22)21-10-8-20(9-11-21)15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 339.87 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).