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

C23H30N4O2 — CID 113111700

IUPACN-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)cc1C
InChIInChI=1S/C23H30N4O2/c1-18-7-8-20(17-19(18)2)24-23(28)27-11-9-25(10-12-27)21-5-3-4-6-22(21)26-13-15-29-16-14-26/h3-8,17H,9-16H2,1-2H3,(H,24,28)
InChIKeyKIKRVXHRSDRLPM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.49
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111700) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
PubChem CID113111700
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)cc1C
InChIInChI=1S/C23H30N4O2/c1-18-7-8-20(17-19(18)2)24-23(28)27-11-9-25(10-12-27)21-5-3-4-6-22(21)26-13-15-29-16-14-26/h3-8,17H,9-16H2,1-2H3,(H,24,28)
InChIKeyKIKRVXHRSDRLPM-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-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111704
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide (CID 113111700) is N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccccc3N3CCOCC3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The InChIKey is KIKRVXHRSDRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-7-8-20(17-19(18)2)24-23(28)27-11-9-25(10-12-27)21-5-3-4-6-22(21)26-13-15-29-16-14-26/h3-8,17H,9-16H2,1-2H3,(H,24,28).
What are the key properties of N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide?
N-(3,4-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-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).