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

C22H29N3O2 — CID 35961140

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-7-20(8-10-21)11-13-23-22(26)25-17-15-24(16-18-25)14-12-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyMFOOQMKAMVOKHY-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.81
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 35961140) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID35961140
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-7-20(8-10-21)11-13-23-22(26)25-17-15-24(16-18-25)14-12-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyMFOOQMKAMVOKHY-UHFFFAOYSA-N
XLogP2.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carbothioamide
CID 3372848
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 35961140) is N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is MFOOQMKAMVOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-9-7-20(8-10-21)11-13-23-22(26)25-17-15-24(16-18-25)14-12-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 35961140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).