N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C22H24N2O4 — CID 108557334

IUPACN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C22H24N2O4/c1-14-3-4-17(11-15(14)2)22(26)24-9-7-18(8-10-24)23-21(25)16-5-6-19-20(12-16)28-13-27-19/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyLLBRRTXXKYPOOO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.07
Rot. Bonds3

About N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 108557334) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID108557334
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C22H24N2O4/c1-14-3-4-17(11-15(14)2)22(26)24-9-7-18(8-10-24)23-21(25)16-5-6-19-20(12-16)28-13-27-19/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyLLBRRTXXKYPOOO-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108548636
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
CID 108566835
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 108557334) is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LLBRRTXXKYPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-3-4-17(11-15(14)2)22(26)24-9-7-18(8-10-24)23-21(25)16-5-6-19-20(12-16)28-13-27-19/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 108557334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).