2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide

C18H29N3O2 — CID 110884150

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C18H29N3O2/c1-15-5-3-4-6-17(15)7-8-19-18(23)16(2)21-11-9-20(10-12-21)13-14-22/h3-6,16,22H,7-14H2,1-2H3,(H,19,23)
InChIKeyQYNLPCBLNLURPI-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.65
Rot. Bonds7

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 110884150) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID110884150
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C18H29N3O2/c1-15-5-3-4-6-17(15)7-8-19-18(23)16(2)21-11-9-20(10-12-21)13-14-22/h3-6,16,22H,7-14H2,1-2H3,(H,19,23)
InChIKeyQYNLPCBLNLURPI-UHFFFAOYSA-N
XLogP0.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 47010786
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 136529286
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92987492
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97238910
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide (CID 110884150) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is QYNLPCBLNLURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-5-3-4-6-17(15)7-8-19-18(23)16(2)21-11-9-20(10-12-21)13-14-22/h3-6,16,22H,7-14H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 110884150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).