6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C23H27N3O3 — CID 154579491

IUPAC6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCOc1cccc(CC(=O)N2CC(C(=O)NCc3ccncc3)C3(CCC3)C2)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-5-2-4-18(12-19)13-21(27)26-15-20(23(16-26)8-3-9-23)22(28)25-14-17-6-10-24-11-7-17/h2,4-7,10-12,20H,3,8-9,13-16H2,1H3,(H,25,28)
InChIKeyNUJUOAVWAYLKGE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.58
Rot. Bonds6

About 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579491) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579491
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCOc1cccc(CC(=O)N2CC(C(=O)NCc3ccncc3)C3(CCC3)C2)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-5-2-4-18(12-19)13-21(27)26-15-20(23(16-26)8-3-9-23)22(28)25-14-17-6-10-24-11-7-17/h2,4-7,10-12,20H,3,8-9,13-16H2,1H3,(H,25,28)
InChIKeyNUJUOAVWAYLKGE-UHFFFAOYSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(3-methoxyphenyl)ethanone
CID 155882349
6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579532
2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882152
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364
1-[(1S,5S,7R)-4,4-dioxo-3-(pyridin-4-ylmethyl)-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97441516
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(3-methoxyphenyl)ethanone
CID 146070323
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924949
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 114781425
6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579463

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579491) is 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is COc1cccc(CC(=O)N2CC(C(=O)NCc3ccncc3)C3(CCC3)C2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is NUJUOAVWAYLKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-19-5-2-4-18(12-19)13-21(27)26-15-20(23(16-26)8-3-9-23)22(28)25-14-17-6-10-24-11-7-17/h2,4-7,10-12,20H,3,8-9,13-16H2,1H3,(H,25,28).
What are the key properties of 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).