4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

C21H26ClN3O2 — CID 27539448

IUPAC4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16-7-8-18(22)15-19(16)24-11-13-25(14-12-24)21(26)23-10-9-17-5-3-4-6-20(17)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyPDWQAPGJAJFJOA-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.73
Rot. Bonds5

About 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 27539448) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID27539448
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16-7-8-18(22)15-19(16)24-11-13-25(14-12-24)21(26)23-10-9-17-5-3-4-6-20(17)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyPDWQAPGJAJFJOA-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 46652261
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109057
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 27539448) is 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccccc1CCNC(=O)N1CCN(c2cc(Cl)ccc2C)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is PDWQAPGJAJFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16-7-8-18(22)15-19(16)24-11-13-25(14-12-24)21(26)23-10-9-17-5-3-4-6-20(17)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 27539448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).