N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide

C23H30N4O2 — CID 113111814

IUPACN-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18-15-19(2)17-20(16-18)24-23(28)27-9-7-25(8-10-27)21-5-3-4-6-22(21)26-11-13-29-14-12-26/h3-6,15-17H,7-14H2,1-2H3,(H,24,28)
InChIKeyPJJAYYQHJQWKDW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.49
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111814) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
PubChem CID113111814
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18-15-19(2)17-20(16-18)24-23(28)27-9-7-25(8-10-27)21-5-3-4-6-22(21)26-11-13-29-14-12-26/h3-6,15-17H,7-14H2,1-2H3,(H,24,28)
InChIKeyPJJAYYQHJQWKDW-UHFFFAOYSA-N
XLogP3.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
CID 2813061
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 51115408
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide (CID 113111814) is N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The InChIKey is PJJAYYQHJQWKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-15-19(2)17-20(16-18)24-23(28)27-9-7-25(8-10-27)21-5-3-4-6-22(21)26-11-13-29-14-12-26/h3-6,15-17H,7-14H2,1-2H3,(H,24,28).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).