2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide

C28H40N4O2 — CID 143136786

IUPAC2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide
SMILESCN(C)CC(=O)NCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H40N4O2/c1-31(2)22-26(33)30-18-10-5-11-19-32-20-16-25(17-21-32)28(27(29)34,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,25H,5,10-11,16-22H2,1-2H3,(H2,29,34)(H,30,33)
InChIKeyNMYNQUBCUWMTLB-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.02
Rot. Bonds12

About 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide

2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide (PubChem CID 143136786) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide
PubChem CID143136786
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide
SMILESCN(C)CC(=O)NCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H40N4O2/c1-31(2)22-26(33)30-18-10-5-11-19-32-20-16-25(17-21-32)28(27(29)34,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,25H,5,10-11,16-22H2,1-2H3,(H2,29,34)(H,30,33)
InChIKeyNMYNQUBCUWMTLB-UHFFFAOYSA-N
XLogP3.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide (CID 143136786) is 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide is CN(C)CC(=O)NCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide?
The InChIKey is NMYNQUBCUWMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-31(2)22-26(33)30-18-10-5-11-19-32-20-16-25(17-21-32)28(27(29)34,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,25H,5,10-11,16-22H2,1-2H3,(H2,29,34)(H,30,33).
What are the key properties of 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide?
2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide has a molecular weight of 464.65 g/mol, XLogP of 3.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 143136786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).