(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide

C21H24N2O5 — CID 31985390

IUPAC(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C21H24N2O5/c1-22(13-16-14-27-17-7-2-3-8-18(17)28-16)20(24)15-6-4-10-23(12-15)21(25)19-9-5-11-26-19/h2-3,5,7-9,11,15-16H,4,6,10,12-14H2,1H3/t15-,16-/m1/s1
InChIKeyBYHDISDDTIPYCZ-HZPDHXFCSA-N
MW384.43 g/mol
LogP2.43
Rot. Bonds4

About (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide

(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 31985390) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID31985390
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C21H24N2O5/c1-22(13-16-14-27-17-7-2-3-8-18(17)28-16)20(24)15-6-4-10-23(12-15)21(25)19-9-5-11-26-19/h2-3,5,7-9,11,15-16H,4,6,10,12-14H2,1H3/t15-,16-/m1/s1
InChIKeyBYHDISDDTIPYCZ-HZPDHXFCSA-N
XLogP2.43
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 43044196
N-[(2-chloro-5-nitrophenyl)methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 42938378
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 31985666
(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 135910064
[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 51300695
9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983489
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide (CID 31985390) is (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is BYHDISDDTIPYCZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-22(13-16-14-27-17-7-2-3-8-18(17)28-16)20(24)15-6-4-10-23(12-15)21(25)19-9-5-11-26-19/h2-3,5,7-9,11,15-16H,4,6,10,12-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide?
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 31985390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).