4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide

C13H17ClN4O2 — CID 23932887

IUPAC4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
SMILESCNC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN4O2/c1-15-12(19)17-5-7-18(8-6-17)13(20)16-11-4-2-3-10(14)9-11/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyZZSWFQQFMWPNLJ-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.83
Rot. Bonds1

About 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide

4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide (PubChem CID 23932887) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
PubChem CID23932887
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
SMILESCNC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN4O2/c1-15-12(19)17-5-7-18(8-6-17)13(20)16-11-4-2-3-10(14)9-11/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyZZSWFQQFMWPNLJ-UHFFFAOYSA-N
XLogP1.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 74237755
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide (CID 23932887) is 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide is CNC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide?
The InChIKey is ZZSWFQQFMWPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-15-12(19)17-5-7-18(8-6-17)13(20)16-11-4-2-3-10(14)9-11/h2-4,9H,5-8H2,1H3,(H,15,19)(H,16,20).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 23932887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).