N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

C22H29N3O2 — CID 113112535

IUPACN-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C22H29N3O2/c1-16(2)18-9-7-8-17(3)21(18)24-12-14-25(15-13-24)22(26)23-19-10-5-6-11-20(19)27-4/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyBXMCQBSSPKIXQT-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.48
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113112535) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113112535
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C22H29N3O2/c1-16(2)18-9-7-8-17(3)21(18)24-12-14-25(15-13-24)22(26)23-19-10-5-6-11-20(19)27-4/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyBXMCQBSSPKIXQT-UHFFFAOYSA-N
XLogP4.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112562
N-(2-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734888
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113109567
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113513
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113112535) is N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2c(C)cccc2C(C)C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is BXMCQBSSPKIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)18-9-7-8-17(3)21(18)24-12-14-25(15-13-24)22(26)23-19-10-5-6-11-20(19)27-4/h5-11,16H,12-15H2,1-4H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.48, 4 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-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).