N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide

C21H29N5O3 — CID 42065423

IUPACN-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C21H29N5O3/c1-5-28-18-8-6-17(7-9-18)24-21(27)26-12-10-25(11-13-26)19-14-20(29-15(2)3)23-16(4)22-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27)
InChIKeyPQAMTLGMUYOXFQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.33
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 42065423) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID42065423
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C21H29N5O3/c1-5-28-18-8-6-17(7-9-18)24-21(27)26-12-10-25(11-13-26)19-14-20(29-15(2)3)23-16(4)22-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27)
InChIKeyPQAMTLGMUYOXFQ-UHFFFAOYSA-N
XLogP3.33
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)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

4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 42473670
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 122281562
N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide
CID 4141793
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide (CID 42065423) is N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is PQAMTLGMUYOXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-5-28-18-8-6-17(7-9-18)24-21(27)26-12-10-25(11-13-26)19-14-20(29-15(2)3)23-16(4)22-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 42065423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).