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

C28H39N3O3 — CID 3313553

IUPAC2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H39N3O3/c1-4-34-18-8-15-29-28(33)25-20-24(30-27(32)21(2)3)11-12-26(25)31-16-13-23(14-17-31)19-22-9-6-5-7-10-22/h5-7,9-12,20-21,23H,4,8,13-19H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyXNAMZTVEPRNICZ-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.90
Rot. Bonds11

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

2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 3313553) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
PubChem CID3313553
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H39N3O3/c1-4-34-18-8-15-29-28(33)25-20-24(30-27(32)21(2)3)11-12-26(25)31-16-13-23(14-17-31)19-22-9-6-5-7-10-22/h5-7,9-12,20-21,23H,4,8,13-19H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyXNAMZTVEPRNICZ-UHFFFAOYSA-N
XLogP4.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.90
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
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
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
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 3960007
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 4587534

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide (CID 3313553) is 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide is CCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is XNAMZTVEPRNICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-4-34-18-8-15-29-28(33)25-20-24(30-27(32)21(2)3)11-12-26(25)31-16-13-23(14-17-31)19-22-9-6-5-7-10-22/h5-7,9-12,20-21,23H,4,8,13-19H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide?
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide has a molecular weight of 465.64 g/mol, XLogP of 4.90, 11 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-methylpropanoylamino)benzamide is sourced from PubChem (CID 3313553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).