2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C23H29N3O3 — CID 91924949

IUPAC2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2ccncc2)C2(CCOCC2)C1
InChIInChI=1S/C23H29N3O3/c1-28-21-5-3-2-4-19(21)15-26-16-20(23(17-26)8-12-29-13-9-23)22(27)25-14-18-6-10-24-11-7-18/h2-7,10-11,20H,8-9,12-17H2,1H3,(H,25,27)
InChIKeyONOJIJLLLMMFJL-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.64
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924949) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924949
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2ccncc2)C2(CCOCC2)C1
InChIInChI=1S/C23H29N3O3/c1-28-21-5-3-2-4-19(21)15-26-16-20(23(17-26)8-12-29-13-9-23)22(27)25-14-18-6-10-24-11-7-18/h2-7,10-11,20H,8-9,12-17H2,1H3,(H,25,27)
InChIKeyONOJIJLLLMMFJL-UHFFFAOYSA-N
XLogP2.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924927
2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924948
2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
2-[(3-methylthiophen-2-yl)methyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912735
2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924934
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
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579491
(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375290

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924949) is 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2ccncc2)C2(CCOCC2)C1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ONOJIJLLLMMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-21-5-3-2-4-19(21)15-26-16-20(23(17-26)8-12-29-13-9-23)22(27)25-14-18-6-10-24-11-7-18/h2-7,10-11,20H,8-9,12-17H2,1H3,(H,25,27).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).