N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C32H39N3O2 — CID 16755871

IUPACN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C32H39N3O2/c1-24(2)31(36)34-29-16-9-15-28(23-29)25-17-21-35(22-18-25)20-10-19-33-32(37)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,23-25,30H,10,17-22H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyJFSBFNPKAYOILM-UHFFFAOYSA-N
MW497.68 g/mol
LogP5.80
Rot. Bonds10

About N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 16755871) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID16755871
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC NameN-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C32H39N3O2/c1-24(2)31(36)34-29-16-9-15-28(23-29)25-17-21-35(22-18-25)20-10-19-33-32(37)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,23-25,30H,10,17-22H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyJFSBFNPKAYOILM-UHFFFAOYSA-N
XLogP5.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 16755871) is N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is JFSBFNPKAYOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-24(2)31(36)34-29-16-9-15-28(23-29)25-17-21-35(22-18-25)20-10-19-33-32(37)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,23-25,30H,10,17-22H2,1-2H3,(H,33,37)(H,34,36).
What are the key properties of N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 497.68 g/mol, XLogP of 5.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 16755871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).