N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide

C16H22N2O3 — CID 51194544

IUPACN-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H22N2O3/c1-11(2)18-7-5-13(6-8-18)17-16(19)12-3-4-14-15(9-12)21-10-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyGHZDKIXQDFTZTO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.02
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 51194544) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID51194544
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H22N2O3/c1-11(2)18-7-5-13(6-8-18)17-16(19)12-3-4-14-15(9-12)21-10-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyGHZDKIXQDFTZTO-UHFFFAOYSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide 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

methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91924029
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide (CID 51194544) is N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide is CC(C)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is GHZDKIXQDFTZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18-7-5-13(6-8-18)17-16(19)12-3-4-14-15(9-12)21-10-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51194544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).