[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C21H30N2O2 — CID 95580633

IUPAC[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESC[C@H]1CN(C2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)CCO1
InChIInChI=1S/C21H30N2O2/c1-16-15-23(13-14-25-16)18-9-11-22(12-10-18)21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,16,18,20H,4,6,8-15H2,1H3/t16-,20+/m0/s1
InChIKeyJJRPFSJJXJGBOB-OXJNMPFZSA-N
MW342.48 g/mol
LogP2.82
Rot. Bonds2

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

[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 95580633) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID95580633
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESC[C@H]1CN(C2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)CCO1
InChIInChI=1S/C21H30N2O2/c1-16-15-23(13-14-25-16)18-9-11-22(12-10-18)21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,16,18,20H,4,6,8-15H2,1H3/t16-,20+/m0/s1
InChIKeyJJRPFSJJXJGBOB-OXJNMPFZSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55619980
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
[2-(aminomethyl)morpholin-4-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718398
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
CID 49062477
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 124850699

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 95580633) is [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is C[C@H]1CN(C2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)CCO1.
What is the InChIKey of [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is JJRPFSJJXJGBOB-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-15-23(13-14-25-16)18-9-11-22(12-10-18)21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,16,18,20H,4,6,8-15H2,1H3/t16-,20+/m0/s1.
What are the key properties of [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 95580633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).