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

C22H29N3O2 — CID 113108807

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-8-20(18-21)10-12-23-22(26)25-16-14-24(15-17-25)13-11-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3,(H,23,26)
InChIKeyKSUHBPJBJCEAGZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.81
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 113108807) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID113108807
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-8-20(18-21)10-12-23-22(26)25-16-14-24(15-17-25)13-11-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3,(H,23,26)
InChIKeyKSUHBPJBJCEAGZ-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
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109017963
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 113108807) is N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide is COc1cccc(CCNC(=O)N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is KSUHBPJBJCEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-9-5-8-20(18-21)10-12-23-22(26)25-16-14-24(15-17-25)13-11-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3,(H,23,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[2-(3-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-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).