N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C23H30N4O2 — CID 118570221

IUPACN-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)c1ccccn1
InChIInChI=1S/C23H30N4O2/c1-25(21-9-5-6-13-24-21)22(28)27-17-18-29-23(19-27)11-15-26(16-12-23)14-10-20-7-3-2-4-8-20/h2-9,13H,10-12,14-19H2,1H3
InChIKeyOKEGSIDMEFDMNE-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.05
Rot. Bonds4

About N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 118570221) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID118570221
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)c1ccccn1
InChIInChI=1S/C23H30N4O2/c1-25(21-9-5-6-13-24-21)22(28)27-17-18-29-23(19-27)11-15-26(16-12-23)14-10-20-7-3-2-4-8-20/h2-9,13H,10-12,14-19H2,1H3
InChIKeyOKEGSIDMEFDMNE-UHFFFAOYSA-N
XLogP3.05
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3233036
4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
1-Hydroxy-4-[4-(morpholinomethyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 90645176
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-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
CID 156782594
Methyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234757
(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6899525

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 118570221) is N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CN(C(=O)N1CCOC2(CCN(CCc3ccccc3)CC2)C1)c1ccccn1.
What is the InChIKey of N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is OKEGSIDMEFDMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25(21-9-5-6-13-24-21)22(28)27-17-18-29-23(19-27)11-15-26(16-12-23)14-10-20-7-3-2-4-8-20/h2-9,13H,10-12,14-19H2,1H3.
What are the key properties of N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-phenylethyl)-N-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 118570221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).