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

C33H41N3O3 — CID 3341979

IUPAC2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C33H41N3O3/c1-3-25-11-13-28(14-12-25)32(37)35-29-15-16-31(30(24-29)33(38)34-19-8-22-39-4-2)36-20-17-27(18-21-36)23-26-9-6-5-7-10-26/h5-7,9-16,24,27H,3-4,8,17-23H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyYCBNEZHLTCEMMV-UHFFFAOYSA-N
MW527.71 g/mol
LogP6.12
Rot. Bonds12

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

2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide (PubChem CID 3341979) has the molecular formula C33H41N3O3 and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
PubChem CID3341979
Molecular FormulaC33H41N3O3
Molecular Weight527.71 g/mol
Exact Mass527.31
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C33H41N3O3/c1-3-25-11-13-28(14-12-25)32(37)35-29-15-16-31(30(24-29)33(38)34-19-8-22-39-4-2)36-20-17-27(18-21-36)23-26-9-6-5-7-10-26/h5-7,9-16,24,27H,3-4,8,17-23H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyYCBNEZHLTCEMMV-UHFFFAOYSA-N
XLogP6.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 56.12
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)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
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
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 3520444
2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
CID 4286420
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3605278
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide (CID 3341979) is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccc(CC)cc2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide?
The InChIKey is YCBNEZHLTCEMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3/c1-3-25-11-13-28(14-12-25)32(37)35-29-15-16-31(30(24-29)33(38)34-19-8-22-39-4-2)36-20-17-27(18-21-36)23-26-9-6-5-7-10-26/h5-7,9-16,24,27H,3-4,8,17-23H2,1-2H3,(H,34,38)(H,35,37).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide?
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide has a molecular weight of 527.71 g/mol, XLogP of 6.12, 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-[(4-ethylbenzoyl)amino]benzamide is sourced from PubChem (CID 3341979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).