9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H31N3O2 — CID 70745249

IUPAC9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1ccccc1CN1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-29-22-6-4-3-5-21(22)18-26-15-11-24(12-16-26)10-7-23(28)27(19-24)17-20-8-13-25-14-9-20/h3-6,8-9,13-14H,2,7,10-12,15-19H2,1H3
InChIKeyXTRFLJWDZADGMJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.89
Rot. Bonds6

About 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70745249) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70745249
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1ccccc1CN1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-29-22-6-4-3-5-21(22)18-26-15-11-24(12-16-26)10-7-23(28)27(19-24)17-20-8-13-25-14-9-20/h3-6,8-9,13-14H,2,7,10-12,15-19H2,1H3
InChIKeyXTRFLJWDZADGMJ-UHFFFAOYSA-N
XLogP3.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765030
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70729722
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
9-(5-propylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769381
2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72877044
9-(3-hydroxypyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872797
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72850315

Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70745249) is 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCOc1ccccc1CN1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1.
What is the InChIKey of 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XTRFLJWDZADGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-29-22-6-4-3-5-21(22)18-26-15-11-24(12-16-26)10-7-23(28)27(19-24)17-20-8-13-25-14-9-20/h3-6,8-9,13-14H,2,7,10-12,15-19H2,1H3.
What are the key properties of 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 393.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70745249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).