N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C20H31N3O2 — CID 122147482

IUPACN-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)N(CC(C)(C)O)C3CC3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,25)15-23(18-8-9-18)19(24)17-6-4-16(5-7-17)14-22-12-10-21(3)11-13-22/h4-7,18,25H,8-15H2,1-3H3
InChIKeyGBFYDGPZQPTPDJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.81
Rot. Bonds6

About N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 122147482) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID122147482
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)N(CC(C)(C)O)C3CC3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,25)15-23(18-8-9-18)19(24)17-6-4-16(5-7-17)14-22-12-10-21(3)11-13-22/h4-7,18,25H,8-15H2,1-3H3
InChIKeyGBFYDGPZQPTPDJ-UHFFFAOYSA-N
XLogP1.81
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 122147482) is N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)N(CC(C)(C)O)C3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is GBFYDGPZQPTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,25)15-23(18-8-9-18)19(24)17-6-4-16(5-7-17)14-22-12-10-21(3)11-13-22/h4-7,18,25H,8-15H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 122147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).