4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

C18H22ClN3O2 — CID 113106498

IUPAC4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-13-10-14(2)17(16(19)11-13)21-5-7-22(8-6-21)18(23)20-12-15-4-3-9-24-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23)
InChIKeyOSIPXMWFLZWELQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.58
Rot. Bonds3

About 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113106498) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113106498
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-13-10-14(2)17(16(19)11-13)21-5-7-22(8-6-21)18(23)20-12-15-4-3-9-24-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23)
InChIKeyOSIPXMWFLZWELQ-UHFFFAOYSA-N
XLogP3.58
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108589
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
1-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3857332
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18106072

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 113106498) is 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)NCc3ccco3)CC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OSIPXMWFLZWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-10-14(2)17(16(19)11-13)21-5-7-22(8-6-21)18(23)20-12-15-4-3-9-24-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).