(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

C16H20N2O4 — CID 94152924

IUPAC(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC(=O)NC1
InChIInChI=1S/C16H20N2O4/c1-18(16(20)12-3-5-15(19)17-9-12)10-11-2-4-13-14(8-11)22-7-6-21-13/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyIYDPZDWUDLXMEH-LBPRGKRZSA-N
MW304.35 g/mol
LogP0.94
Rot. Bonds3

About (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 94152924) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID94152924
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC(=O)NC1
InChIInChI=1S/C16H20N2O4/c1-18(16(20)12-3-5-15(19)17-9-12)10-11-2-4-13-14(8-11)22-7-6-21-13/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyIYDPZDWUDLXMEH-LBPRGKRZSA-N
XLogP0.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide 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

N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N-[(4-bromophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728718
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79379133
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 78982492
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46587179
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 94152924) is (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC(=O)NC1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is IYDPZDWUDLXMEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(16(20)12-3-5-15(19)17-9-12)10-11-2-4-13-14(8-11)22-7-6-21-13/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).