2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

C28H41N3O2 — CID 146072035

IUPAC2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCCN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1
InChIInChI=1S/C28H41N3O2/c1-2-29-17-11-22(12-18-29)21-25(32)30-19-13-24(14-20-30)31-26(23-9-5-3-6-10-23)28(27(31)33)15-7-4-8-16-28/h3,5-6,9-10,22,24,26H,2,4,7-8,11-21H2,1H3
InChIKeyVKKXDSCGDOMFCR-UHFFFAOYSA-N
MW451.66 g/mol
LogP4.63
Rot. Bonds5

About 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 146072035) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID146072035
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCCN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1
InChIInChI=1S/C28H41N3O2/c1-2-29-17-11-22(12-18-29)21-25(32)30-19-13-24(14-20-30)31-26(23-9-5-3-6-10-23)28(27(31)33)15-7-4-8-16-28/h3,5-6,9-10,22,24,26H,2,4,7-8,11-21H2,1H3
InChIKeyVKKXDSCGDOMFCR-UHFFFAOYSA-N
XLogP4.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072042
2-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072062
2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072034
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072045
2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone
CID 72868998
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
CID 91921151
2-cyclopentyl-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 121191833
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
1-(2-azaspiro[4.5]decan-2-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633604
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 146072035) is 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is CCN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is VKKXDSCGDOMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-2-29-17-11-22(12-18-29)21-25(32)30-19-13-24(14-20-30)31-26(23-9-5-3-6-10-23)28(27(31)33)15-7-4-8-16-28/h3,5-6,9-10,22,24,26H,2,4,7-8,11-21H2,1H3.
What are the key properties of 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 451.66 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 146072035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).