N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C24H29N3O4 — CID 16909803

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C24H29N3O4/c1-16-3-5-20(11-17(16)2)26-23(28)14-27-9-7-19(8-10-27)24(29)25-13-18-4-6-21-22(12-18)31-15-30-21/h3-6,11-12,19H,7-10,13-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyYAOJXEOGEHHAIS-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.00
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909803) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909803
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C24H29N3O4/c1-16-3-5-20(11-17(16)2)26-23(28)14-27-9-7-19(8-10-27)24(29)25-13-18-4-6-21-22(12-18)31-15-30-21/h3-6,11-12,19H,7-10,13-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyYAOJXEOGEHHAIS-UHFFFAOYSA-N
XLogP3.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-(1,3-benzodioxol-5-yl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995661
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995611
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249260
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909803) is N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YAOJXEOGEHHAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-3-5-20(11-17(16)2)26-23(28)14-27-9-7-19(8-10-27)24(29)25-13-18-4-6-21-22(12-18)31-15-30-21/h3-6,11-12,19H,7-10,13-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).