N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C23H33N3O3 — CID 109147643

IUPACN-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C23H33N3O3/c1-3-17-6-5-7-18(4-2)21(17)24-22(28)19-8-10-20(11-9-19)23(29)26-14-12-25(16-27)13-15-26/h5-7,16,19-20H,3-4,8-15H2,1-2H3,(H,24,28)
InChIKeyLJOKMTGYOYBPEG-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.86
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147643) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147643
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C23H33N3O3/c1-3-17-6-5-7-18(4-2)21(17)24-22(28)19-8-10-20(11-9-19)23(29)26-14-12-25(16-27)13-15-26/h5-7,16,19-20H,3-4,8-15H2,1-2H3,(H,24,28)
InChIKeyLJOKMTGYOYBPEG-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147660
N-(2,6-diethylphenyl)-4-formylpiperazine-1-carbothioamide
CID 2100934
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
N-(2,6-diethylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961095
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147643) is N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CCc1cccc(CC)c1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is LJOKMTGYOYBPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-3-17-6-5-7-18(4-2)21(17)24-22(28)19-8-10-20(11-9-19)23(29)26-14-12-25(16-27)13-15-26/h5-7,16,19-20H,3-4,8-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).