3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

C22H29N3O3 — CID 648849

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c26-17-16-25-14-12-24(13-15-25)11-10-22(27)23-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9,26H,10-18H2,(H,23,27)
InChIKeyBLSNKMFNUHBVKM-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.20
Rot. Bonds9

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 648849) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID648849
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c26-17-16-25-14-12-24(13-15-25)11-10-22(27)23-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9,26H,10-18H2,(H,23,27)
InChIKeyBLSNKMFNUHBVKM-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24954798
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
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CID 831396

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide (CID 648849) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is BLSNKMFNUHBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-17-16-25-14-12-24(13-15-25)11-10-22(27)23-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9,26H,10-18H2,(H,23,27).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 648849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).