N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C22H29N3O2 — CID 113111475

IUPACN-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3OC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)23-19-10-9-17(3)15-18(19)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,26)
InChIKeyWATUFWBBWQDDOO-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.44
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113111475) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113111475
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3OC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)23-19-10-9-17(3)15-18(19)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,26)
InChIKeyWATUFWBBWQDDOO-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077620
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 51115408
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113111475) is N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccccc3OC(C)C)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is WATUFWBBWQDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)23-19-10-9-17(3)15-18(19)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).