3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione

C22H32N4O2 — CID 177052731

IUPAC3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
SMILESNCCN1CCC2(CC1)CCN(c1cccc(C3CCC(=O)NC3=O)c1)CC2
InChIInChI=1S/C22H32N4O2/c23-10-15-25-11-6-22(7-12-25)8-13-26(14-9-22)18-3-1-2-17(16-18)19-4-5-20(27)24-21(19)28/h1-3,16,19H,4-15,23H2,(H,24,27,28)
InChIKeyFQNDPNUTLJLIRK-UHFFFAOYSA-N
MW384.52 g/mol
LogP1.85
Rot. Bonds4

About 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione

3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione (PubChem CID 177052731) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
PubChem CID177052731
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
SMILESNCCN1CCC2(CC1)CCN(c1cccc(C3CCC(=O)NC3=O)c1)CC2
InChIInChI=1S/C22H32N4O2/c23-10-15-25-11-6-22(7-12-25)8-13-26(14-9-22)18-3-1-2-17(16-18)19-4-5-20(27)24-21(19)28/h1-3,16,19H,4-15,23H2,(H,24,27,28)
InChIKeyFQNDPNUTLJLIRK-UHFFFAOYSA-N
XLogP1.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
CID 171406919
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
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
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[3-[9-[[4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 170978180
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463632

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione (CID 177052731) is 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione is NCCN1CCC2(CC1)CCN(c1cccc(C3CCC(=O)NC3=O)c1)CC2.
What is the InChIKey of 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione?
The InChIKey is FQNDPNUTLJLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c23-10-15-25-11-6-22(7-12-25)8-13-26(14-9-22)18-3-1-2-17(16-18)19-4-5-20(27)24-21(19)28/h1-3,16,19H,4-15,23H2,(H,24,27,28).
What are the key properties of 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione?
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione has a molecular weight of 384.52 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).