4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide

C18H28N4O2 — CID 122152201

IUPAC4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide
SMILESCCN1CCN(CC(C)(C)NC(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-21-9-11-22(12-10-21)13-18(2,3)20-17(24)15-7-5-14(6-8-15)16(19)23/h5-8H,4,9-13H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyWICZAIONUUYISX-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.93
Rot. Bonds6

About 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide

4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 122152201) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide
PubChem CID122152201
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide
SMILESCCN1CCN(CC(C)(C)NC(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-21-9-11-22(12-10-21)13-18(2,3)20-17(24)15-7-5-14(6-8-15)16(19)23/h5-8H,4,9-13H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyWICZAIONUUYISX-UHFFFAOYSA-N
XLogP0.93
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
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CID 166236360
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002142
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
4-[[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119357271
4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 122556634
4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
CID 136547909
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide (CID 122152201) is 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide is CCN1CCN(CC(C)(C)NC(=O)c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is WICZAIONUUYISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-21-9-11-22(12-10-21)13-18(2,3)20-17(24)15-7-5-14(6-8-15)16(19)23/h5-8H,4,9-13H2,1-3H3,(H2,19,23)(H,20,24).
What are the key properties of 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide?
4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 122152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).