2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide

C26H35N3O3 — CID 1063121

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
SMILESCOCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C26H35N3O3/c1-19(2)17-27-26(31)23-16-22(28-25(30)18-32-3)9-10-24(23)29-13-11-21(12-14-29)15-20-7-5-4-6-8-20/h4-10,16,19,21H,11-15,17-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPVFUVUMDUUIKPE-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.12
Rot. Bonds9

About 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide (PubChem CID 1063121) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
PubChem CID1063121
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
SMILESCOCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C26H35N3O3/c1-19(2)17-27-26(31)23-16-22(28-25(30)18-32-3)9-10-24(23)29-13-11-21(12-14-29)15-20-7-5-4-6-8-20/h4-10,16,19,21H,11-15,17-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPVFUVUMDUUIKPE-UHFFFAOYSA-N
XLogP4.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42751508
5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 3627197
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 42751667
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)benzamide
CID 42762451
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 1064347
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide (CID 1063121) is 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide is COCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide?
The InChIKey is PVFUVUMDUUIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)17-27-26(31)23-16-22(28-25(30)18-32-3)9-10-24(23)29-13-11-21(12-14-29)15-20-7-5-4-6-8-20/h4-10,16,19,21H,11-15,17-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide?
2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide has a molecular weight of 437.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1063121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).