2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

C21H33N3O3 — CID 120800182

IUPAC2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1CCN(CC(O)c2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C21H33N3O3/c22-20(18-8-12-27-13-9-18)21(26)23-14-16-6-10-24(11-7-16)15-19(25)17-4-2-1-3-5-17/h1-5,16,18-20,25H,6-15,22H2,(H,23,26)
InChIKeyGNFAFCINIGYVDY-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.30
Rot. Bonds7

About 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120800182) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120800182
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1CCN(CC(O)c2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C21H33N3O3/c22-20(18-8-12-27-13-9-18)21(26)23-14-16-6-10-24(11-7-16)15-19(25)17-4-2-1-3-5-17/h1-5,16,18-20,25H,6-15,22H2,(H,23,26)
InChIKeyGNFAFCINIGYVDY-UHFFFAOYSA-N
XLogP1.30
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide with MolForge

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Related Compounds

2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119880522
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119880550
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (CID 120800182) is 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCC1CCN(CC(O)c2ccccc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is GNFAFCINIGYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c22-20(18-8-12-27-13-9-18)21(26)23-14-16-6-10-24(11-7-16)15-19(25)17-4-2-1-3-5-17/h1-5,16,18-20,25H,6-15,22H2,(H,23,26).
What are the key properties of 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120800182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).