(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C18H27N3O3 — CID 97385582

IUPAC(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2
InChIInChI=1S/C18H27N3O3/c1-19-6-2-3-16(19)17(22)21-7-4-18(5-8-21)13-15(14-24-18)20-9-11-23-12-10-20/h2-3,6,15H,4-5,7-14H2,1H3/t15-/m0/s1
InChIKeyAQNGSYZLLGKNKH-HNNXBMFYSA-N
MW333.43 g/mol
LogP1.12
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97385582) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97385582
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2
InChIInChI=1S/C18H27N3O3/c1-19-6-2-3-16(19)17(22)21-7-4-18(5-8-21)13-15(14-24-18)20-9-11-23-12-10-20/h2-3,6,15H,4-5,7-14H2,1H3/t15-/m0/s1
InChIKeyAQNGSYZLLGKNKH-HNNXBMFYSA-N
XLogP1.12
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 97486705
(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 131650153
(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395253
1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723
(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134080148
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97385582) is (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is AQNGSYZLLGKNKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-6-2-3-16(19)17(22)21-7-4-18(5-8-21)13-15(14-24-18)20-9-11-23-12-10-20/h2-3,6,15H,4-5,7-14H2,1H3/t15-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97385582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).