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

C17H25N3O2 — CID 8540814

IUPAC4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12-8-13(2)10-20(9-12)11-16(21)19-15-6-4-14(5-7-15)17(22)18-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-,13-/m1/s1
InChIKeyLTSNSICURFGOTD-CHWSQXEVSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds4

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

4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 8540814) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID8540814
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12-8-13(2)10-20(9-12)11-16(21)19-15-6-4-14(5-7-15)17(22)18-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-,13-/m1/s1
InChIKeyLTSNSICURFGOTD-CHWSQXEVSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
N-(3,4-dimethoxyphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930671
dimethyl 5-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 8904739
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide (CID 8540814) is 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1.
What is the InChIKey of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is LTSNSICURFGOTD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-8-13(2)10-20(9-12)11-16(21)19-15-6-4-14(5-7-15)17(22)18-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-,13-/m1/s1.
What are the key properties of 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide?
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8540814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).