3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide

C22H29N3O3 — CID 56976603

IUPAC3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
SMILESO=C(CCN1CCN(CC(O)COc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H29N3O3/c26-20(18-28-21-9-5-2-6-10-21)17-25-15-13-24(14-16-25)12-11-22(27)23-19-7-3-1-4-8-19/h1-10,20,26H,11-18H2,(H,23,27)
InChIKeyHZMQSIUOJRUIRY-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.07
Rot. Bonds9

About 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide

3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 56976603) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID56976603
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
SMILESO=C(CCN1CCN(CC(O)COc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H29N3O3/c26-20(18-28-21-9-5-2-6-10-21)17-25-15-13-24(14-16-25)12-11-22(27)23-19-7-3-1-4-8-19/h1-10,20,26H,11-18H2,(H,23,27)
InChIKeyHZMQSIUOJRUIRY-UHFFFAOYSA-N
XLogP2.07
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-phenylacetamide
CID 46512603
N-[4-(3-chloro-2-hydroxypropoxy)phenyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 12941098
N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
CID 54170268
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
1-[2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95325339
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide (CID 56976603) is 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide is O=C(CCN1CCN(CC(O)COc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is HZMQSIUOJRUIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-20(18-28-21-9-5-2-6-10-21)17-25-15-13-24(14-16-25)12-11-22(27)23-19-7-3-1-4-8-19/h1-10,20,26H,11-18H2,(H,23,27).
What are the key properties of 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide?
3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 56976603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).