[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

C21H30N2O2 — CID 96571349

IUPAC[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESO=C([C@H]1CCc2ccccc2C1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21(20-6-5-18-3-1-2-4-19(18)15-20)23-9-7-17(8-10-23)16-22-11-13-25-14-12-22/h1-4,17,20H,5-16H2/t20-/m0/s1
InChIKeySOPASNUASPYQCM-FQEVSTJZSA-N
MW342.48 g/mol
LogP2.36
Rot. Bonds3

About [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (PubChem CID 96571349) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
PubChem CID96571349
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESO=C([C@H]1CCc2ccccc2C1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21(20-6-5-18-3-1-2-4-19(18)15-20)23-9-7-17(8-10-23)16-22-11-13-25-14-12-22/h1-4,17,20H,5-16H2/t20-/m0/s1
InChIKeySOPASNUASPYQCM-FQEVSTJZSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
[3-(bromomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127697
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70786755
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 45180063
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954

Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (CID 96571349) is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The canonical SMILES for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is O=C([C@H]1CCc2ccccc2C1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The InChIKey is SOPASNUASPYQCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(20-6-5-18-3-1-2-4-19(18)15-20)23-9-7-17(8-10-23)16-22-11-13-25-14-12-22/h1-4,17,20H,5-16H2/t20-/m0/s1.
What are the key properties of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is sourced from PubChem (CID 96571349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).