2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one

C20H27N3O2 — CID 128714057

IUPAC2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CN1
InChIInChI=1S/C20H27N3O2/c24-18-12-20(14-21-18)7-10-23(15-20)19(25)17-6-4-5-16(11-17)13-22-8-2-1-3-9-22/h4-6,11H,1-3,7-10,12-15H2,(H,21,24)
InChIKeyZHHPBCVCFFXPFM-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one

2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 128714057) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID128714057
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CN1
InChIInChI=1S/C20H27N3O2/c24-18-12-20(14-21-18)7-10-23(15-20)19(25)17-6-4-5-16(11-17)13-22-8-2-1-3-9-22/h4-6,11H,1-3,7-10,12-15H2,(H,21,24)
InChIKeyZHHPBCVCFFXPFM-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70753586
5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
CID 138999475
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120819698
(5S)-7-(3-chlorobenzoyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438915
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911

Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one (CID 128714057) is 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one is O=C1CC2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CN1.
What is the InChIKey of 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is ZHHPBCVCFFXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-18-12-20(14-21-18)7-10-23(15-20)19(25)17-6-4-5-16(11-17)13-22-8-2-1-3-9-22/h4-6,11H,1-3,7-10,12-15H2,(H,21,24).
What are the key properties of 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one?
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 341.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 128714057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).