N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide

C19H28N2O3 — CID 56501604

IUPACN-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C19H28N2O3/c1-2-20(14-16-8-4-3-5-9-16)18(22)15-21-11-7-6-10-17(21)19-23-12-13-24-19/h3-5,8-9,17,19H,2,6-7,10-15H2,1H3
InChIKeyIBMSWWLKXLWRFG-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide

N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide (PubChem CID 56501604) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
PubChem CID56501604
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C19H28N2O3/c1-2-20(14-16-8-4-3-5-9-16)18(22)15-21-11-7-6-10-17(21)19-23-12-13-24-19/h3-5,8-9,17,19H,2,6-7,10-15H2,1H3
InChIKeyIBMSWWLKXLWRFG-UHFFFAOYSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
CID 56501336
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide (CID 56501604) is N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1CCCCC1C1OCCO1.
What is the InChIKey of N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide?
The InChIKey is IBMSWWLKXLWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-20(14-16-8-4-3-5-9-16)18(22)15-21-11-7-6-10-17(21)19-23-12-13-24-19/h3-5,8-9,17,19H,2,6-7,10-15H2,1H3.
What are the key properties of N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide?
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 56501604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).