N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride

C15H21ClN2O3 — CID 120577340

IUPACN-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1COc2ccccc2O1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10-11(5-4-8-16-10)17-15(18)14-9-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3,(H,17,18);1H
InChIKeyKVJQJEKUJNTDTD-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.50
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride (PubChem CID 120577340) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
PubChem CID120577340
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1COc2ccccc2O1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10-11(5-4-8-16-10)17-15(18)14-9-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3,(H,17,18);1H
InChIKeyKVJQJEKUJNTDTD-UHFFFAOYSA-N
XLogP1.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 106995349
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
cis-(1S,3R)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120676420
(3S)-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94191023
3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66033099
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120576633
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
CID 120576328
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride (CID 120577340) is N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1COc2ccccc2O1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The InChIKey is KVJQJEKUJNTDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-10-11(5-4-8-16-10)17-15(18)14-9-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120577340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).