2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H29N3O2 — CID 126765783

IUPAC2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)n1
InChIInChI=1S/C23H29N3O2/c1-18-7-6-10-21(24-18)26-17-23(28-19(2)22(26)27)12-15-25(16-13-23)14-11-20-8-4-3-5-9-20/h3-10,19H,11-17H2,1-2H3
InChIKeyFNHARQSAPIXOSJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 126765783) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID126765783
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)n1
InChIInChI=1S/C23H29N3O2/c1-18-7-6-10-21(24-18)26-17-23(28-19(2)22(26)27)12-15-25(16-13-23)14-11-20-8-4-3-5-9-20/h3-10,19H,11-17H2,1-2H3
InChIKeyFNHARQSAPIXOSJ-UHFFFAOYSA-N
XLogP3.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
2-Methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562402
(2R)-9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567531
2-Methyl-9-(2-phenylethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567606
2-Methyl-9-(2-phenylethyl)-4-[6-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567743
4-(3-Fluoro-2-pyridinyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567747
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509231
N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509529
N-[[4-[4-(1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509586
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539376
N-[[4-(1-benzylpiperidin-4-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539478
N-[[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 126765783) is 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)n1.
What is the InChIKey of 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FNHARQSAPIXOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-7-6-10-21(24-18)26-17-23(28-19(2)22(26)27)12-15-25(16-13-23)14-11-20-8-4-3-5-9-20/h3-10,19H,11-17H2,1-2H3.
What are the key properties of 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 379.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methyl-2-pyridinyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 126765783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).