3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione

C28H39N3O3 — CID 172823692

IUPAC3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(C(=O)N3CCC4(CCC(CC5CCNCC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C28H39N3O3/c32-25-6-5-24(26(33)30-25)22-1-3-23(4-2-22)27(34)31-17-13-28(14-18-31)11-7-20(8-12-28)19-21-9-15-29-16-10-21/h1-4,20-21,24,29H,5-19H2,(H,30,32,33)
InChIKeyUOKUYUBIYJYPEW-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.01
Rot. Bonds4

About 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione

3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione (PubChem CID 172823692) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
PubChem CID172823692
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(C(=O)N3CCC4(CCC(CC5CCNCC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C28H39N3O3/c32-25-6-5-24(26(33)30-25)22-1-3-23(4-2-22)27(34)31-17-13-28(14-18-31)11-7-20(8-12-28)19-21-9-15-29-16-10-21/h1-4,20-21,24,29H,5-19H2,(H,30,32,33)
InChIKeyUOKUYUBIYJYPEW-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
CID 166066223
3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione
CID 172604718
benzyl 4-[[3-[4-(2,6-dioxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperazine-1-carboxylate
CID 171521518
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
molecular hydrogen;piperidin-4-amine;3-[3-[3-(piperidine-4-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]piperidine-2,6-dione;sulfanol;hydrate
CID 177052955
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
CID 171406891
1-[2-methyl-5-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484884
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 178005256
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
3-[4-[3-[4-[(3R,5R)-5-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]piperidine-2,6-dione
CID 170978391

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione (CID 172823692) is 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(C(=O)N3CCC4(CCC(CC5CCNCC5)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione?
The InChIKey is UOKUYUBIYJYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c32-25-6-5-24(26(33)30-25)22-1-3-23(4-2-22)27(34)31-17-13-28(14-18-31)11-7-20(8-12-28)19-21-9-15-29-16-10-21/h1-4,20-21,24,29H,5-19H2,(H,30,32,33).
What are the key properties of 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione?
3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione has a molecular weight of 465.64 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 172823692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).