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

C19H31N3O2 — CID 75744030

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-3-7-18(17-8-5-4-6-9-17)20-19(24)16(2)22-12-10-21(11-13-22)14-15-23/h4-6,8-9,16,18,23H,3,7,10-15H2,1-2H3,(H,20,24)
InChIKeyMAGNQHUQBIMYHL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.64
Rot. Bonds8

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide (PubChem CID 75744030) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
PubChem CID75744030
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-3-7-18(17-8-5-4-6-9-17)20-19(24)16(2)22-12-10-21(11-13-22)14-15-23/h4-6,8-9,16,18,23H,3,7,10-15H2,1-2H3,(H,20,24)
InChIKeyMAGNQHUQBIMYHL-UHFFFAOYSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 55682595
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide (CID 75744030) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)N1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The InChIKey is MAGNQHUQBIMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-7-18(17-8-5-4-6-9-17)20-19(24)16(2)22-12-10-21(11-13-22)14-15-23/h4-6,8-9,16,18,23H,3,7,10-15H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.64, 8 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-(1-phenylbutyl)propanamide is sourced from PubChem (CID 75744030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).