3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide

C18H28N2O2 — CID 110024824

IUPAC3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
SMILESCC1CCCN(CCNC(=O)CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-15-7-6-11-20(14-15)12-10-19-17(21)13-18(2,22)16-8-4-3-5-9-16/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyAJLKUYQNJYGNKK-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.13
Rot. Bonds6

About 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide

3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide (PubChem CID 110024824) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
PubChem CID110024824
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
SMILESCC1CCCN(CCNC(=O)CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-15-7-6-11-20(14-15)12-10-19-17(21)13-18(2,22)16-8-4-3-5-9-16/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyAJLKUYQNJYGNKK-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111458030
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide (CID 110024824) is 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide is CC1CCCN(CCNC(=O)CC(C)(O)c2ccccc2)C1.
What is the InChIKey of 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide?
The InChIKey is AJLKUYQNJYGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-7-6-11-20(14-15)12-10-19-17(21)13-18(2,22)16-8-4-3-5-9-16/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide?
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 110024824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).