N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide

C23H30N4O — CID 147114660

IUPACN-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESN/C(=N\Cc1ccccc1)N(CCN1CCCCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N4O/c24-23(25-19-21-12-6-2-7-13-21)27(17-16-26-14-8-3-9-15-26)22(28)18-20-10-4-1-5-11-20/h1-2,4-7,10-13H,3,8-9,14-19H2,(H2,24,25)
InChIKeyBNEGXSGSZRFOBV-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.06
Rot. Bonds7

About N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide

N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 147114660) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID147114660
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESN/C(=N\Cc1ccccc1)N(CCN1CCCCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N4O/c24-23(25-19-21-12-6-2-7-13-21)27(17-16-26-14-8-3-9-15-26)22(28)18-20-10-4-1-5-11-20/h1-2,4-7,10-13H,3,8-9,14-19H2,(H2,24,25)
InChIKeyBNEGXSGSZRFOBV-UHFFFAOYSA-N
XLogP3.06
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide (CID 147114660) is N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide is N/C(=N\Cc1ccccc1)N(CCN1CCCCC1)C(=O)Cc1ccccc1.
What is the InChIKey of N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is BNEGXSGSZRFOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c24-23(25-19-21-12-6-2-7-13-21)27(17-16-26-14-8-3-9-15-26)22(28)18-20-10-4-1-5-11-20/h1-2,4-7,10-13H,3,8-9,14-19H2,(H2,24,25).
What are the key properties of N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-benzylcarbamimidoyl)-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 147114660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).