N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide

C28H29N3O4 — CID 46037507

IUPACN-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C28H29N3O4/c1-19-6-2-3-7-22(19)28(33)30-21-12-14-31(15-13-21)24-9-5-4-8-23(24)27(32)29-17-20-10-11-25-26(16-20)35-18-34-25/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyBUQYPOHYEHGVCG-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.05
Rot. Bonds6

About N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 46037507) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID46037507
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C28H29N3O4/c1-19-6-2-3-7-22(19)28(33)30-21-12-14-31(15-13-21)24-9-5-4-8-23(24)27(32)29-17-20-10-11-25-26(16-20)35-18-34-25/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyBUQYPOHYEHGVCG-UHFFFAOYSA-N
XLogP4.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
N-[1-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861463
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide (CID 46037507) is N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is BUQYPOHYEHGVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-19-6-2-3-7-22(19)28(33)30-21-12-14-31(15-13-21)24-9-5-4-8-23(24)27(32)29-17-20-10-11-25-26(16-20)35-18-34-25/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 471.56 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 46037507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).