8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one

C20H27N3O2 — CID 50951911

IUPAC8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CN1
InChIInChI=1S/C20H27N3O2/c24-18-14-20(15-21-18)8-12-23(13-9-20)19(25)16-4-6-17(7-5-16)22-10-2-1-3-11-22/h4-7H,1-3,8-15H2,(H,21,24)
InChIKeyQCZMGSJCRDUNKD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.42
Rot. Bonds2

About 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one

8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50951911) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50951911
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CN1
InChIInChI=1S/C20H27N3O2/c24-18-14-20(15-21-18)8-12-23(13-9-20)19(25)16-4-6-17(7-5-16)22-10-2-1-3-11-22/h4-7H,1-3,8-15H2,(H,21,24)
InChIKeyQCZMGSJCRDUNKD-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70778858
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 133130629
pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235542
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414

Frequently Asked Questions

What is the IUPAC name of 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 50951911) is 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CN1.
What is the InChIKey of 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QCZMGSJCRDUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-18-14-20(15-21-18)8-12-23(13-9-20)19(25)16-4-6-17(7-5-16)22-10-2-1-3-11-22/h4-7H,1-3,8-15H2,(H,21,24).
What are the key properties of 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50951911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).