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

C15H17Cl2N3O — CID 141138541

IUPACN-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
SMILESC=C=CC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C
InChIInChI=1S/C15H17Cl2N3O/c1-3-4-14-10-20(6-5-19(14)2)15(21)18-13-8-11(16)7-12(17)9-13/h4,7-9,14H,1,5-6,10H2,2H3,(H,18,21)
InChIKeyQPPCXAWUODHPQB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.48
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide (PubChem CID 141138541) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
PubChem CID141138541
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide
SMILESC=C=CC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C
InChIInChI=1S/C15H17Cl2N3O/c1-3-4-14-10-20(6-5-19(14)2)15(21)18-13-8-11(16)7-12(17)9-13/h4,7-9,14H,1,5-6,10H2,2H3,(H,18,21)
InChIKeyQPPCXAWUODHPQB-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide (CID 141138541) is N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide is C=C=CC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
The InChIKey is QPPCXAWUODHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-3-4-14-10-20(6-5-19(14)2)15(21)18-13-8-11(16)7-12(17)9-13/h4,7-9,14H,1,5-6,10H2,2H3,(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide?
N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methyl-3-propa-1,2-dienylpiperazine-1-carboxamide is sourced from PubChem (CID 141138541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).