2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C23H29N3O2 — CID 45216412

IUPAC2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCOc1ccccc1CN1CCC2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C23H29N3O2/c1-2-28-21-9-4-3-8-20(21)17-25-14-11-23(18-25)10-6-13-26(22(23)27)16-19-7-5-12-24-15-19/h3-5,7-9,12,15H,2,6,10-11,13-14,16-18H2,1H3
InChIKeyWQLZJPVPIBPETG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.49
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45216412) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45216412
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCOc1ccccc1CN1CCC2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C23H29N3O2/c1-2-28-21-9-4-3-8-20(21)17-25-14-11-23(18-25)10-6-13-26(22(23)27)16-19-7-5-12-24-15-19/h3-5,7-9,12,15H,2,6,10-11,13-14,16-18H2,1H3
InChIKeyWQLZJPVPIBPETG-UHFFFAOYSA-N
XLogP3.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45244514
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56912097
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
9-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897204
9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45216412) is 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is CCOc1ccccc1CN1CCC2(CCCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WQLZJPVPIBPETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-28-21-9-4-3-8-20(21)17-25-14-11-23(18-25)10-6-13-26(22(23)27)16-19-7-5-12-24-15-19/h3-5,7-9,12,15H,2,6,10-11,13-14,16-18H2,1H3.
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 379.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45216412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).