9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H32N4O — CID 70719955

IUPAC9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESNCCc1cccc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1
InChIInChI=1S/C24H32N4O/c25-12-8-20-4-3-5-21(16-20)17-27-14-10-24(11-15-27)9-7-23(29)28(19-24)18-22-6-1-2-13-26-22/h1-6,13,16H,7-12,14-15,17-19,25H2
InChIKeyJJGUHVUPRSOHHO-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.99
Rot. Bonds6

About 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70719955) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70719955
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESNCCc1cccc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1
InChIInChI=1S/C24H32N4O/c25-12-8-20-4-3-5-21(16-20)17-27-14-10-24(11-15-27)9-7-23(29)28(19-24)18-22-6-1-2-13-26-22/h1-6,13,16H,7-12,14-15,17-19,25H2
InChIKeyJJGUHVUPRSOHHO-UHFFFAOYSA-N
XLogP2.99
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744
3-[[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70780252
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724419
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867395
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499
9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890903
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70739672
9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767429
6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120265

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70719955) is 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is NCCc1cccc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1.
What is the InChIKey of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JJGUHVUPRSOHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c25-12-8-20-4-3-5-21(16-20)17-27-14-10-24(11-15-27)9-7-23(29)28(19-24)18-22-6-1-2-13-26-22/h1-6,13,16H,7-12,14-15,17-19,25H2.
What are the key properties of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70719955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).