N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide

C28H37N3O2 — CID 23570398

IUPACN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyOMYVPMMZVZEEEB-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.42
Rot. Bonds9

About N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide

N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide (PubChem CID 23570398) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
PubChem CID23570398
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyOMYVPMMZVZEEEB-UHFFFAOYSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide (CID 23570398) is N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide is CC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The InChIKey is OMYVPMMZVZEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide has a molecular weight of 447.62 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 23570398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).