4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide

C24H33ClN4O3 — CID 60611911

IUPAC4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC
InChIInChI=1S/C24H33ClN4O3/c1-4-27(5-2)15-16-32-23-18-20(9-10-22(23)31-3)26-24(30)29-13-11-28(12-14-29)21-8-6-7-19(25)17-21/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,26,30)
InChIKeyZPSZVAVNKNZLCO-UHFFFAOYSA-N
MW461.01 g/mol
LogP4.42
Rot. Bonds9

About 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide (PubChem CID 60611911) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
PubChem CID60611911
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC Name4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC
InChIInChI=1S/C24H33ClN4O3/c1-4-27(5-2)15-16-32-23-18-20(9-10-22(23)31-3)26-24(30)29-13-11-28(12-14-29)21-8-6-7-19(25)17-21/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,26,30)
InChIKeyZPSZVAVNKNZLCO-UHFFFAOYSA-N
XLogP4.42
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
CID 10277646
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide (CID 60611911) is 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide is CCN(CC)CCOc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?
The InChIKey is ZPSZVAVNKNZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O3/c1-4-27(5-2)15-16-32-23-18-20(9-10-22(23)31-3)26-24(30)29-13-11-28(12-14-29)21-8-6-7-19(25)17-21/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,26,30).
What are the key properties of 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide has a molecular weight of 461.01 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60611911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).