N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H22N2O3 — CID 114955639

IUPACN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CCNCC1CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-17-8-12(11)9-18-16(19)15-10-20-13-4-2-3-5-14(13)21-15/h2-5,11-12,15,17H,6-10H2,1H3,(H,18,19)
InChIKeyIVDANAKQADKQLW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.19
Rot. Bonds3

About N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 114955639) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID114955639
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CCNCC1CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-17-8-12(11)9-18-16(19)15-10-20-13-4-2-3-5-14(13)21-15/h2-5,11-12,15,17H,6-10H2,1H3,(H,18,19)
InChIKeyIVDANAKQADKQLW-UHFFFAOYSA-N
XLogP1.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114306810
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60894986
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
(3R)-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97164554
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62664381
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 106995349
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 65031834
tert-butyl (2R)-2-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 96555875
N-(5-amino-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 106140339
N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 71641052

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 114955639) is N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1CCNCC1CNC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IVDANAKQADKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-7-17-8-12(11)9-18-16(19)15-10-20-13-4-2-3-5-14(13)21-15/h2-5,11-12,15,17H,6-10H2,1H3,(H,18,19).
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 114955639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).