1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

C14H18N2O3 — CID 117008299

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C14H18N2O3/c15-14(17)10-2-1-5-16(9-10)11-3-4-12-13(8-11)19-7-6-18-12/h3-4,8,10H,1-2,5-7,9H2,(H2,15,17)
InChIKeyUXZAQFXNUMOZRE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide (PubChem CID 117008299) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
PubChem CID117008299
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C14H18N2O3/c15-14(17)10-2-1-5-16(9-10)11-3-4-12-13(8-11)19-7-6-18-12/h3-4,8,10H,1-2,5-7,9H2,(H2,15,17)
InChIKeyUXZAQFXNUMOZRE-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-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

1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700993
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
CID 117008801
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide (CID 117008299) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The InChIKey is UXZAQFXNUMOZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(17)10-2-1-5-16(9-10)11-3-4-12-13(8-11)19-7-6-18-12/h3-4,8,10H,1-2,5-7,9H2,(H2,15,17).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 117008299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).