4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C24H31N3O3 — CID 8930959

IUPAC4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-11-9-21(10-12-22)26-24(29)19-5-7-20(8-6-19)25-23(28)16-27-14-17(2)13-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1
InChIKeyZFIIAMINSPRZAT-QZTJIDSGSA-N
MW409.53 g/mol
LogP4.25
Rot. Bonds7

About 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 8930959) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID8930959
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-11-9-21(10-12-22)26-24(29)19-5-7-20(8-6-19)25-23(28)16-27-14-17(2)13-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1
InChIKeyZFIIAMINSPRZAT-QZTJIDSGSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8540814
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 8899247
1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
CID 47088179
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 27157023
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 8930959) is 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)cc2)cc1.
What is the InChIKey of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is ZFIIAMINSPRZAT-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-30-22-11-9-21(10-12-22)26-24(29)19-5-7-20(8-6-19)25-23(28)16-27-14-17(2)13-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1.
What are the key properties of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 8930959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).