N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide

C21H24N2O3 — CID 97200510

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H24N2O3/c1-23(13-15-4-9-19-20(11-15)26-14-25-19)21(24)17-7-5-16(6-8-17)18-3-2-10-22-12-18/h4-9,11,18,22H,2-3,10,12-14H2,1H3/t18-/m1/s1
InChIKeyMTVYXSHFSZNERH-GOSISDBHSA-N
MW352.43 g/mol
LogP3.15
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97200510) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
PubChem CID97200510
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H24N2O3/c1-23(13-15-4-9-19-20(11-15)26-14-25-19)21(24)17-7-5-16(6-8-17)18-3-2-10-22-12-18/h4-9,11,18,22H,2-3,10,12-14H2,1H3/t18-/m1/s1
InChIKeyMTVYXSHFSZNERH-GOSISDBHSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N-[[4-(dimethylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 92624444
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545342
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18116240

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide (CID 97200510) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is MTVYXSHFSZNERH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(13-15-4-9-19-20(11-15)26-14-25-19)21(24)17-7-5-16(6-8-17)18-3-2-10-22-12-18/h4-9,11,18,22H,2-3,10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97200510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).