4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C19H31N3O — CID 144530451

IUPAC4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCC(C)(C)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-5-19(2,3)17-8-6-16(7-9-17)18(23)20-10-11-22-14-12-21(4)13-15-22/h6-9H,5,10-15H2,1-4H3,(H,20,23)
InChIKeyYKKCROJKCGNOLM-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.35
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 144530451) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID144530451
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCCC(C)(C)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-5-19(2,3)17-8-6-16(7-9-17)18(23)20-10-11-22-14-12-21(4)13-15-22/h6-9H,5,10-15H2,1-4H3,(H,20,23)
InChIKeyYKKCROJKCGNOLM-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
CID 144530441
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
CID 9205104
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 144530451) is 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CCC(C)(C)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is YKKCROJKCGNOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-19(2,3)17-8-6-16(7-9-17)18(23)20-10-11-22-14-12-21(4)13-15-22/h6-9H,5,10-15H2,1-4H3,(H,20,23).
What are the key properties of 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 317.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 144530451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).