2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide

C18H24N2O2 — CID 126815363

IUPAC2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
SMILESCC#CCNC(=O)CC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c1-2-3-11-19-17(21)13-18(22)10-7-12-20(15-18)14-16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-15H2,1H3,(H,19,21)
InChIKeyRWDBRRSLBOIBAB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.54
Rot. Bonds5

About 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide

2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide (PubChem CID 126815363) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
PubChem CID126815363
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
SMILESCC#CCNC(=O)CC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c1-2-3-11-19-17(21)13-18(22)10-7-12-20(15-18)14-16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-15H2,1H3,(H,19,21)
InChIKeyRWDBRRSLBOIBAB-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 154743994
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
CID 146134068
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide
CID 166233367
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
tert-butyl 4-(1-benzyl-3-cyanopiperidin-3-yl)piperazine-1-carboxylate
CID 71134895

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide?
The IUPAC name of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide (CID 126815363) is 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide.
What is the SMILES notation for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide?
The canonical SMILES for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide is CC#CCNC(=O)CC1(O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide?
The InChIKey is RWDBRRSLBOIBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-3-11-19-17(21)13-18(22)10-7-12-20(15-18)14-16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-15H2,1H3,(H,19,21).
What are the key properties of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide?
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide has a molecular weight of 300.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide is sourced from PubChem (CID 126815363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).