1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

C19H29N3O2 — CID 86769751

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2CN(C(=O)C3CCC4CCCCC4C3)CCO2)cn1
InChIInChI=1S/C19H29N3O2/c1-21-12-17(11-20-21)18-13-22(8-9-24-18)19(23)16-7-6-14-4-2-3-5-15(14)10-16/h11-12,14-16,18H,2-10,13H2,1H3
InChIKeyDNPDESWSIOTWMU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.93
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 86769751) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID86769751
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2CN(C(=O)C3CCC4CCCCC4C3)CCO2)cn1
InChIInChI=1S/C19H29N3O2/c1-21-12-17(11-20-21)18-13-22(8-9-24-18)19(23)16-7-6-14-4-2-3-5-15(14)10-16/h11-12,14-16,18H,2-10,13H2,1H3
InChIKeyDNPDESWSIOTWMU-UHFFFAOYSA-N
XLogP2.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110044203
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 120988782
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
3-[2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]benzoic acid
CID 120550787
(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 129327835
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119890120
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (CID 86769751) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is Cn1cc(C2CN(C(=O)C3CCC4CCCCC4C3)CCO2)cn1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is DNPDESWSIOTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-12-17(11-20-21)18-13-22(8-9-24-18)19(23)16-7-6-14-4-2-3-5-15(14)10-16/h11-12,14-16,18H,2-10,13H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 86769751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).