N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

C20H25N3O2 — CID 2810461

IUPACN-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)21-20(24)23-15-13-22(14-16-23)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyRSJAMYIOKCRAOH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 2810461) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID2810461
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)21-20(24)23-15-13-22(14-16-23)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyRSJAMYIOKCRAOH-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 2810461) is N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is RSJAMYIOKCRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)21-20(24)23-15-13-22(14-16-23)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 2810461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).