4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

C15H21ClN4O2 — CID 3066944

IUPAC4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3
InChIKeyYULZKLOJFBGPMY-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.20
Rot. Bonds1

About 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide

4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (PubChem CID 3066944) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
PubChem CID3066944
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3
InChIKeyYULZKLOJFBGPMY-UHFFFAOYSA-N
XLogP2.20
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide (CID 3066944) is 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is CN(C)C(=O)N(C)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is YULZKLOJFBGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 3066944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).