N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide

C21H24N2O3 — CID 55858175

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccc4c3OCO4)cc2)C1
InChIInChI=1S/C21H24N2O3/c1-15-4-3-11-23(12-15)13-16-7-9-17(10-8-16)22-21(24)18-5-2-6-19-20(18)26-14-25-19/h2,5-10,15H,3-4,11-14H2,1H3,(H,22,24)
InChIKeyJYPPYZYOPVOINI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide (PubChem CID 55858175) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
PubChem CID55858175
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cccc4c3OCO4)cc2)C1
InChIInChI=1S/C21H24N2O3/c1-15-4-3-11-23(12-15)13-16-7-9-17(10-8-16)22-21(24)18-5-2-6-19-20(18)26-14-25-19/h2,5-10,15H,3-4,11-14H2,1H3,(H,22,24)
InChIKeyJYPPYZYOPVOINI-UHFFFAOYSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55840415
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55714852
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide (CID 55858175) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide is CC1CCCN(Cc2ccc(NC(=O)c3cccc4c3OCO4)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is JYPPYZYOPVOINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-4-3-11-23(12-15)13-16-7-9-17(10-8-16)22-21(24)18-5-2-6-19-20(18)26-14-25-19/h2,5-10,15H,3-4,11-14H2,1H3,(H,22,24).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55858175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).