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

C24H33N3O2 — CID 113109445

IUPAC4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(28)25-13-12-19-6-5-7-22(18-19)29-4/h5-11,18H,12-17H2,1-4H3,(H,25,28)
InChIKeyPLQFUGZBSYNUCJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.07
Rot. Bonds5

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

4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109445) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109445
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(28)25-13-12-19-6-5-7-22(18-19)29-4/h5-11,18H,12-17H2,1-4H3,(H,25,28)
InChIKeyPLQFUGZBSYNUCJ-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
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-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-(3-chloro-2-methylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109448
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948640
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109445) is 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCNC(=O)N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is PLQFUGZBSYNUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(28)25-13-12-19-6-5-7-22(18-19)29-4/h5-11,18H,12-17H2,1-4H3,(H,25,28).
What are the key properties of 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).