N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide

C23H28N4O4 — CID 3220948

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C23H28N4O4/c1-15-9-16(2)11-19(10-15)26-23(29)25-17-5-7-27(8-6-17)13-22(28)24-18-3-4-20-21(12-18)31-14-30-20/h3-4,9-12,17H,5-8,13-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyNZKJSKRWADFNLY-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.26
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 3220948) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
PubChem CID3220948
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C23H28N4O4/c1-15-9-16(2)11-19(10-15)26-23(29)25-17-5-7-27(8-6-17)13-22(28)24-18-3-4-20-21(12-18)31-14-30-20/h3-4,9-12,17H,5-8,13-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyNZKJSKRWADFNLY-UHFFFAOYSA-N
XLogP3.26
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 11940591
2-(4-amino-3-methylpiperidin-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 79874642
4-tert-butyl-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445029
N-(1,3-benzodioxol-5-yl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995661
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995611
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
CID 43815899
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide (CID 3220948) is N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is NZKJSKRWADFNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15-9-16(2)11-19(10-15)26-23(29)25-17-5-7-27(8-6-17)13-22(28)24-18-3-4-20-21(12-18)31-14-30-20/h3-4,9-12,17H,5-8,13-14H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 3220948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).