N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide

C24H30N2O2 — CID 10362296

IUPACN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-20(27)19-23(28)25-15-8-16-26-17-13-24(14-18-26,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12H,8,13-19H2,1H3,(H,25,28)
InChIKeyMZEHCTSKFFQDIJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.55
Rot. Bonds8

About N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide (PubChem CID 10362296) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide
PubChem CID10362296
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-20(27)19-23(28)25-15-8-16-26-17-13-24(14-18-26,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12H,8,13-19H2,1H3,(H,25,28)
InChIKeyMZEHCTSKFFQDIJ-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide?
The IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide (CID 10362296) is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide is CC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide?
The InChIKey is MZEHCTSKFFQDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-20(27)19-23(28)25-15-8-16-26-17-13-24(14-18-26,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12H,8,13-19H2,1H3,(H,25,28).
What are the key properties of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide?
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide has a molecular weight of 378.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-oxobutanamide is sourced from PubChem (CID 10362296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).