4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

C14H19ClN4O2 — CID 3066937

IUPAC4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-16-13(20)17(2)14(21)19-9-7-18(8-10-19)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyFTGMMLMFHUBVSX-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.85
Rot. Bonds1

About 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (PubChem CID 3066937) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
PubChem CID3066937
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-16-13(20)17(2)14(21)19-9-7-18(8-10-19)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyFTGMMLMFHUBVSX-UHFFFAOYSA-N
XLogP1.85
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
CID 3066939
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107022223
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide (CID 3066937) is 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is CNC(=O)N(C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
The InChIKey is FTGMMLMFHUBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-16-13(20)17(2)14(21)19-9-7-18(8-10-19)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,20).
What are the key properties of 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide is sourced from PubChem (CID 3066937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).