2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

C26H32N4O2 — CID 176502258

IUPAC2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccncc1)N1CCC(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)CC1
InChIInChI=1S/C26H32N4O2/c31-24(22-6-13-27-14-7-22)28-16-9-23(10-17-28)30-19-12-26(20-30)11-18-29(25(26)32)15-8-21-4-2-1-3-5-21/h1-7,13-14,23H,8-12,15-20H2
InChIKeyWBXSWNSPXGEJMO-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176502258) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176502258
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccncc1)N1CCC(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)CC1
InChIInChI=1S/C26H32N4O2/c31-24(22-6-13-27-14-7-22)28-16-9-23(10-17-28)30-19-12-26(20-30)11-18-29(25(26)32)15-8-21-4-2-1-3-5-21/h1-7,13-14,23H,8-12,15-20H2
InChIKeyWBXSWNSPXGEJMO-UHFFFAOYSA-N
XLogP2.85
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641180
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175645650
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95224033
2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72925497
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644842
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 176502258) is 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccncc1)N1CCC(N2CCC3(CCN(CCc4ccccc4)C3=O)C2)CC1.
What is the InChIKey of 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is WBXSWNSPXGEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-24(22-6-13-27-14-7-22)28-16-9-23(10-17-28)30-19-12-26(20-30)11-18-29(25(26)32)15-8-21-4-2-1-3-5-21/h1-7,13-14,23H,8-12,15-20H2.
What are the key properties of 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 432.57 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176502258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).