N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

C20H24ClN3O2 — CID 113113207

IUPACN-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-26-19-7-5-4-6-18(19)23-10-12-24(13-11-23)20(25)22-17-9-8-16(21)14-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyMIUQAHHWPPHSJK-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.40
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113207) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113207
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-26-19-7-5-4-6-18(19)23-10-12-24(13-11-23)20(25)22-17-9-8-16(21)14-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyMIUQAHHWPPHSJK-UHFFFAOYSA-N
XLogP4.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 46990586
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 113113207) is N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is MIUQAHHWPPHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-26-19-7-5-4-6-18(19)23-10-12-24(13-11-23)20(25)22-17-9-8-16(21)14-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).