2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C19H31N3O3 — CID 56802864

IUPAC2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(23)14-21-10-12-22(13-11-21)16(2)19(24)20-9-8-17-4-6-18(25-3)7-5-17/h4-7,15-16,23H,8-14H2,1-3H3,(H,20,24)
InChIKeyXFAVNUBIEQSDFY-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.74
Rot. Bonds8

About 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 56802864) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID56802864
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(23)14-21-10-12-22(13-11-21)16(2)19(24)20-9-8-17-4-6-18(25-3)7-5-17/h4-7,15-16,23H,8-14H2,1-3H3,(H,20,24)
InChIKeyXFAVNUBIEQSDFY-UHFFFAOYSA-N
XLogP0.74
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95610834
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 56802864) is 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)N2CCN(CC(C)O)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is XFAVNUBIEQSDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(23)14-21-10-12-22(13-11-21)16(2)19(24)20-9-8-17-4-6-18(25-3)7-5-17/h4-7,15-16,23H,8-14H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 56802864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).