N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

C20H24ClN3O2 — CID 1240497

IUPACN-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)15-18(19)22-20(25)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyDAIXGTPXMJAWMV-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.74
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 1240497) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID1240497
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)15-18(19)22-20(25)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyDAIXGTPXMJAWMV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 1240497) is N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is DAIXGTPXMJAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)15-18(19)22-20(25)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 1240497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).