5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide

C26H35N3O3 — CID 42757285

IUPAC5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-3-32-17-7-14-27-26(31)24-19-23(28-20(2)30)10-11-25(24)29-15-12-22(13-16-29)18-21-8-5-4-6-9-21/h4-6,8-11,19,22H,3,7,12-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAWJOZZVPKYQCJO-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.26
Rot. Bonds10

About 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide

5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide (PubChem CID 42757285) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
PubChem CID42757285
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-3-32-17-7-14-27-26(31)24-19-23(28-20(2)30)10-11-25(24)29-15-12-22(13-16-29)18-21-8-5-4-6-9-21/h4-6,8-11,19,22H,3,7,12-18H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAWJOZZVPKYQCJO-UHFFFAOYSA-N
XLogP4.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
CID 4286420
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 3520444
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3605278
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054019

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide (CID 42757285) is 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide?
The InChIKey is AWJOZZVPKYQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-32-17-7-14-27-26(31)24-19-23(28-20(2)30)10-11-25(24)29-15-12-22(13-16-29)18-21-8-5-4-6-9-21/h4-6,8-11,19,22H,3,7,12-18H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide?
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide has a molecular weight of 437.58 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 42757285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).