1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H27N3O4 — CID 124800786

IUPAC1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1cccnc1OC)CC2
InChIInChI=1S/C19H27N3O4/c1-14(23)22-11-15(12-25-2)19(13-22)6-9-21(10-7-19)18(24)16-5-4-8-20-17(16)26-3/h4-5,8,15H,6-7,9-13H2,1-3H3/t15-/m1/s1
InChIKeyOCESUYXSCLAVMS-OAHLLOKOSA-N
MW361.44 g/mol
LogP1.44
Rot. Bonds4

About 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 124800786) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID124800786
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1cccnc1OC)CC2
InChIInChI=1S/C19H27N3O4/c1-14(23)22-11-15(12-25-2)19(13-22)6-9-21(10-7-19)18(24)16-5-4-8-20-17(16)26-3/h4-5,8,15H,6-7,9-13H2,1-3H3/t15-/m1/s1
InChIKeyOCESUYXSCLAVMS-OAHLLOKOSA-N
XLogP1.44
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922119
[4-(methoxymethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 131658294
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124802038
1-[8-[(3-fluoro-4-pyridinyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922144
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 124800786) is 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1cccnc1OC)CC2.
What is the InChIKey of 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is OCESUYXSCLAVMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14(23)22-11-15(12-25-2)19(13-22)6-9-21(10-7-19)18(24)16-5-4-8-20-17(16)26-3/h4-5,8,15H,6-7,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 361.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 124800786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).