N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide

C17H23N3O — CID 141138548

IUPACN-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
SMILESC=C=CC1CN(C(=O)Nc2cc(C)cc(C)c2)CCN1C
InChIInChI=1S/C17H23N3O/c1-5-6-16-12-20(8-7-19(16)4)17(21)18-15-10-13(2)9-14(3)11-15/h6,9-11,16H,1,7-8,12H2,2-4H3,(H,18,21)
InChIKeyUPVSGHXQPHBOQZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.79
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide (PubChem CID 141138548) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
PubChem CID141138548
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
SMILESC=C=CC1CN(C(=O)Nc2cc(C)cc(C)c2)CCN1C
InChIInChI=1S/C17H23N3O/c1-5-6-16-12-20(8-7-19(16)4)17(21)18-15-10-13(2)9-14(3)11-15/h6,9-11,16H,1,7-8,12H2,2-4H3,(H,18,21)
InChIKeyUPVSGHXQPHBOQZ-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
CID 141138541
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
3-azido-N-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
CID 172905193
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide
CID 3218427
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6467928
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
1-[(3-iodo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093344
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide (CID 141138548) is N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide is C=C=CC1CN(C(=O)Nc2cc(C)cc(C)c2)CCN1C.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The InChIKey is UPVSGHXQPHBOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-6-16-12-20(8-7-19(16)4)17(21)18-15-10-13(2)9-14(3)11-15/h6,9-11,16H,1,7-8,12H2,2-4H3,(H,18,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide is sourced from PubChem (CID 141138548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).