N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C15H23N3O2 — CID 110903134

IUPACN-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-17-7-9-18(10-8-17)12-13-2-4-14(5-3-13)15(20)16-6-11-19/h2-5,19H,6-12H2,1H3,(H,16,20)
InChIKeyUWANNKVHFCFWHB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.16
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 110903134) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID110903134
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-17-7-9-18(10-8-17)12-13-2-4-14(5-3-13)15(20)16-6-11-19/h2-5,19H,6-12H2,1H3,(H,16,20)
InChIKeyUWANNKVHFCFWHB-UHFFFAOYSA-N
XLogP0.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride
CID 19748283
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
CID 144530441
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
(2S)-3-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]butanoic acid
CID 119359444

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 110903134) is N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)NCCO)cc2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is UWANNKVHFCFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-7-9-18(10-8-17)12-13-2-4-14(5-3-13)15(20)16-6-11-19/h2-5,19H,6-12H2,1H3,(H,16,20).
What are the key properties of N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 110903134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).