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

C20H24ClN3O2 — CID 113109446

IUPAC4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)9-10-22-20(25)24-13-11-23(12-14-24)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyYDIXICJWUITKFQ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.42
Rot. Bonds5

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

4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109446) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109446
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)9-10-22-20(25)24-13-11-23(12-14-24)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyYDIXICJWUITKFQ-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-methylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109448
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109445
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109446) is 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCNC(=O)N2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is YDIXICJWUITKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)9-10-22-20(25)24-13-11-23(12-14-24)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).