2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide

C32H39N3O3 — CID 4261431

IUPAC2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C32H39N3O3/c1-2-38-21-9-18-33-32(37)29-24-28(34-31(36)23-26-12-7-4-8-13-26)14-15-30(29)35-19-16-27(17-20-35)22-25-10-5-3-6-11-25/h3-8,10-15,24,27H,2,9,16-23H2,1H3,(H,33,37)(H,34,36)
InChIKeyNGRWASIJWCMDPH-UHFFFAOYSA-N
MW513.68 g/mol
LogP5.48
Rot. Bonds12

About 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide

2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide (PubChem CID 4261431) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
PubChem CID4261431
Molecular FormulaC32H39N3O3
Molecular Weight513.68 g/mol
Exact Mass513.30
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C32H39N3O3/c1-2-38-21-9-18-33-32(37)29-24-28(34-31(36)23-26-12-7-4-8-13-26)14-15-30(29)35-19-16-27(17-20-35)22-25-10-5-3-6-11-25/h3-8,10-15,24,27H,2,9,16-23H2,1H3,(H,33,37)(H,34,36)
InChIKeyNGRWASIJWCMDPH-UHFFFAOYSA-N
XLogP5.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 55.48
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

5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
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
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
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide (CID 4261431) is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide is CCOCCCNC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide?
The InChIKey is NGRWASIJWCMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3/c1-2-38-21-9-18-33-32(37)29-24-28(34-31(36)23-26-12-7-4-8-13-26)14-15-30(29)35-19-16-27(17-20-35)22-25-10-5-3-6-11-25/h3-8,10-15,24,27H,2,9,16-23H2,1H3,(H,33,37)(H,34,36).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide?
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide has a molecular weight of 513.68 g/mol, XLogP of 5.48, 12 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)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 4261431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).