2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide

C18H28N2O2 — CID 110891594

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-6-17(16-7-4-3-5-8-16)19-18(22)13-20-11-9-15(14-21)10-12-20/h3-5,7-8,15,17,21H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyDQHJCIVPCGVHDQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.35
Rot. Bonds7

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide (PubChem CID 110891594) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
PubChem CID110891594
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-6-17(16-7-4-3-5-8-16)19-18(22)13-20-11-9-15(14-21)10-12-20/h3-5,7-8,15,17,21H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyDQHJCIVPCGVHDQ-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
CID 86908311
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide (CID 110891594) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN1CCC(CO)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide?
The InChIKey is DQHJCIVPCGVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-6-17(16-7-4-3-5-8-16)19-18(22)13-20-11-9-15(14-21)10-12-20/h3-5,7-8,15,17,21H,2,6,9-14H2,1H3,(H,19,22).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 110891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).