2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate

C16H18NO6- — CID 21300891

IUPAC2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate
SMILESO=C([O-])CC1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19NO6/c18-14(8-11-1-2-12-13(7-11)23-10-22-12)17-5-3-16(21,4-6-17)9-15(19)20/h1-2,7,21H,3-6,8-10H2,(H,19,20)/p-1
InChIKeyPKOPFJCAPQFHBJ-UHFFFAOYSA-M
MW320.32 g/mol
LogP-0.55
Rot. Bonds4

About 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate

2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate (PubChem CID 21300891) has the molecular formula C16H18NO6- and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate.

Molecular Properties

Compound Name2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate
PubChem CID21300891
Molecular FormulaC16H18NO6-
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate
SMILESO=C([O-])CC1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H19NO6/c18-14(8-11-1-2-12-13(7-11)23-10-22-12)17-5-3-16(21,4-6-17)9-15(19)20/h1-2,7,21H,3-6,8-10H2,(H,19,20)/p-1
InChIKeyPKOPFJCAPQFHBJ-UHFFFAOYSA-M
XLogP-0.55
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]ethanone
CID 95729712
2-(1,3-benzodioxol-5-yl)-1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]ethanone
CID 56884508
1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978
2-(1,3-benzodioxol-5-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 162625550
1-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801526
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
8-[2-(1,3-benzodioxol-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863629
(5S)-9-[2-(1,3-benzodioxol-5-yl)acetyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721951
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174732
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077
4-[2-(1,3-benzodioxol-5-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110805106
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 45178295

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate?
The IUPAC name of 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate (CID 21300891) is 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate.
What is the SMILES notation for 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate?
The canonical SMILES for 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate is O=C([O-])CC1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate?
The InChIKey is PKOPFJCAPQFHBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19NO6/c18-14(8-11-1-2-12-13(7-11)23-10-22-12)17-5-3-16(21,4-6-17)9-15(19)20/h1-2,7,21H,3-6,8-10H2,(H,19,20)/p-1.
What are the key properties of 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate?
2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate has a molecular weight of 320.32 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate is sourced from PubChem (CID 21300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).