5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide

C22H29N3O — CID 120646621

IUPAC5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C22H29N3O/c1-16-9-10-19(23)14-21(16)22(26)24(3)20-11-12-25(17(2)13-20)15-18-7-5-4-6-8-18/h4-10,14,17,20H,11-13,15,23H2,1-3H3
InChIKeyXSLWLCIPQVICDF-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.70
Rot. Bonds4

About 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide

5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide (PubChem CID 120646621) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
PubChem CID120646621
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C22H29N3O/c1-16-9-10-19(23)14-21(16)22(26)24(3)20-11-12-25(17(2)13-20)15-18-7-5-4-6-8-18/h4-10,14,17,20H,11-13,15,23H2,1-3H3
InChIKeyXSLWLCIPQVICDF-UHFFFAOYSA-N
XLogP3.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 97317575
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide (CID 120646621) is 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)C1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide?
The InChIKey is XSLWLCIPQVICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-9-10-19(23)14-21(16)22(26)24(3)20-11-12-25(17(2)13-20)15-18-7-5-4-6-8-18/h4-10,14,17,20H,11-13,15,23H2,1-3H3.
What are the key properties of 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide?
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 120646621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).