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

C23H30N3O2+ — CID 8542721

IUPACN-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H29N3O2/c1-17-12-18(2)15-26(14-17)16-22(27)25-21-11-7-6-10-20(21)23(28)24-13-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t17-,18-/m1/s1
InChIKeyYFBVCQNGMVVJFM-QZTJIDSGSA-O
MW380.51 g/mol
LogP2.12
Rot. Bonds6

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

N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (PubChem CID 8542721) has the molecular formula C23H30N3O2+ and a molecular weight of 380.51 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
PubChem CID8542721
Molecular FormulaC23H30N3O2+
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC NameN-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H29N3O2/c1-17-12-18(2)15-26(14-17)16-22(27)25-21-11-7-6-10-20(21)23(28)24-13-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t17-,18-/m1/s1
InChIKeyYFBVCQNGMVVJFM-QZTJIDSGSA-O
XLogP2.12
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

methyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930705
ethyl 2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930711
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8930682
ethyl (3S)-1-[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8561989
N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930223
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 8904662
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929915
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (CID 8542721) is N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The InChIKey is YFBVCQNGMVVJFM-QZTJIDSGSA-O. The full InChI is InChI=1S/C23H29N3O2/c1-17-12-18(2)15-26(14-17)16-22(27)25-21-11-7-6-10-20(21)23(28)24-13-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t17-,18-/m1/s1.
What are the key properties of N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide has a molecular weight of 380.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8542721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).