2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide

C19H29N3O3 — CID 95978154

IUPAC2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CCOCC1
InChIInChI=1S/C19H29N3O3/c23-18(16-4-2-1-3-5-16)14-21-8-10-22(11-9-21)15-19(24)20-17-6-12-25-13-7-17/h1-5,17-18,23H,6-15H2,(H,20,24)/t18-/m1/s1
InChIKeySPUAMJBETGMNPT-GOSISDBHSA-N
MW347.46 g/mol
LogP0.63
Rot. Bonds6

About 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide

2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 95978154) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID95978154
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CCOCC1
InChIInChI=1S/C19H29N3O3/c23-18(16-4-2-1-3-5-16)14-21-8-10-22(11-9-21)15-19(24)20-17-6-12-25-13-7-17/h1-5,17-18,23H,6-15H2,(H,20,24)/t18-/m1/s1
InChIKeySPUAMJBETGMNPT-GOSISDBHSA-N
XLogP0.63
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 95333663
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
CID 162078080
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide (CID 95978154) is 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CCOCC1.
What is the InChIKey of 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is SPUAMJBETGMNPT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(16-4-2-1-3-5-16)14-21-8-10-22(11-9-21)15-19(24)20-17-6-12-25-13-7-17/h1-5,17-18,23H,6-15H2,(H,20,24)/t18-/m1/s1.
What are the key properties of 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 95978154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).