2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H27N3O2 — CID 91924870

IUPAC2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CN(CCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C22H27N3O2/c26-21(24-20-8-4-5-12-23-20)19-16-25(13-9-18-6-2-1-3-7-18)17-22(19)10-14-27-15-11-22/h1-8,12,19H,9-11,13-17H2,(H,23,24,26)
InChIKeyZQHORQBCAVRJEG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924870) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924870
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CN(CCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C22H27N3O2/c26-21(24-20-8-4-5-12-23-20)19-16-25(13-9-18-6-2-1-3-7-18)17-22(19)10-14-27-15-11-22/h1-8,12,19H,9-11,13-17H2,(H,23,24,26)
InChIKeyZQHORQBCAVRJEG-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912584
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831816
N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97483991
2-(3-phenylpropanoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739581
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155841370
N-propan-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831850
2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924949
N-propan-2-yl-2-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155823826
2-[(3-methylthiophen-2-yl)methyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912735
N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924870) is 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(Nc1ccccn1)C1CN(CCc2ccccc2)CC12CCOCC2.
What is the InChIKey of 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZQHORQBCAVRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(24-20-8-4-5-12-23-20)19-16-25(13-9-18-6-2-1-3-7-18)17-22(19)10-14-27-15-11-22/h1-8,12,19H,9-11,13-17H2,(H,23,24,26).
What are the key properties of 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).