N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide

C22H26N2O3 — CID 55857919

IUPACN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)c2cccc3c2OCO3)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-2-3-12-24(16)14-18-10-8-17(9-11-18)13-23-22(25)19-6-4-7-20-21(19)27-15-26-20/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,23,25)
InChIKeyLLVIUBGBBMWWOV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.72
Rot. Bonds5

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

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide (PubChem CID 55857919) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide
PubChem CID55857919
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)c2cccc3c2OCO3)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-2-3-12-24(16)14-18-10-8-17(9-11-18)13-23-22(25)19-6-4-7-20-21(19)27-15-26-20/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,23,25)
InChIKeyLLVIUBGBBMWWOV-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 75880230
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-N,2-N,6-trimethyl-5-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86891529
1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86990673
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55858175
methyl 5-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 55708682
N-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 20544751
3-[[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]methyl]benzoic acid
CID 122030312

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide (CID 55857919) is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide is CC1CCCCN1Cc1ccc(CNC(=O)c2cccc3c2OCO3)cc1.
What is the InChIKey of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is LLVIUBGBBMWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-2-3-12-24(16)14-18-10-8-17(9-11-18)13-23-22(25)19-6-4-7-20-21(19)27-15-26-20/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,23,25).
What are the key properties of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55857919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).