4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide

C18H29N3O2 — CID 94778291

IUPAC4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCN2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)16-6-4-15(5-7-16)17(23)19-14-21-10-8-20(9-11-21)12-13-22/h4-7,22H,8-14H2,1-3H3,(H,19,23)
InChIKeyNHZRNAQTNASQGO-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.28
Rot. Bonds5

About 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide

4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 94778291) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide
PubChem CID94778291
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCN2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)16-6-4-15(5-7-16)17(23)19-14-21-10-8-20(9-11-21)12-13-22/h4-7,22H,8-14H2,1-3H3,(H,19,23)
InChIKeyNHZRNAQTNASQGO-UHFFFAOYSA-N
XLogP1.28
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
CID 82163321
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
CID 9205104

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide (CID 94778291) is 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCN2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is NHZRNAQTNASQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)16-6-4-15(5-7-16)17(23)19-14-21-10-8-20(9-11-21)12-13-22/h4-7,22H,8-14H2,1-3H3,(H,19,23).
What are the key properties of 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide?
4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 319.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 94778291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).