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

C23H27N3O5 — CID 8995686

IUPACN-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H27N3O5/c1-2-29-19-6-3-17(4-7-19)24-22(27)14-26-11-9-16(10-12-26)23(28)25-18-5-8-20-21(13-18)31-15-30-20/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyINVIANNUUPSLJH-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.10
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8995686) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8995686
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H27N3O5/c1-2-29-19-6-3-17(4-7-19)24-22(27)14-26-11-9-16(10-12-26)23(28)25-18-5-8-20-21(13-18)31-15-30-20/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyINVIANNUUPSLJH-UHFFFAOYSA-N
XLogP3.10
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8995685
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
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-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 8995762
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
CID 43815899

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 8995686) is N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is CCOc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is INVIANNUUPSLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-2-29-19-6-3-17(4-7-19)24-22(27)14-26-11-9-16(10-12-26)23(28)25-18-5-8-20-21(13-18)31-15-30-20/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8995686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).