1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C20H23N3O3 — CID 51128933

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C20H23N3O3/c24-20(22-18-6-1-2-9-21-18)15-7-10-23(11-8-15)14-16-4-3-5-17-19(16)26-13-12-25-17/h1-6,9,15H,7-8,10-14H2,(H,21,22,24)
InChIKeyTYLAEVBSVSKPOE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 51128933) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID51128933
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C20H23N3O3/c24-20(22-18-6-1-2-9-21-18)15-7-10-23(11-8-15)14-16-4-3-5-17-19(16)26-13-12-25-17/h1-6,9,15H,7-8,10-14H2,(H,21,22,24)
InChIKeyTYLAEVBSVSKPOE-UHFFFAOYSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-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

1-[(2-methyl-3-nitrophenyl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 47069581
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51120604
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55865729
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55916384
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 51128933) is 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(Cc2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is TYLAEVBSVSKPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(22-18-6-1-2-9-21-18)15-7-10-23(11-8-15)14-16-4-3-5-17-19(16)26-13-12-25-17/h1-6,9,15H,7-8,10-14H2,(H,21,22,24).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51128933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).