[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride

C14H27ClN2O2 — CID 120932218

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-10(2)8-12-4-6-16(9-12)14(17)13-11(3)18-7-5-15-13;/h10-13,15H,4-9H2,1-3H3;1H/t11-,12?,13+;/m1./s1
InChIKeyLUSLEXRLLRBYSS-CSYBZOQDSA-N
MW290.84 g/mol
LogP1.68
Rot. Bonds3

About [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120932218) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120932218
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-10(2)8-12-4-6-16(9-12)14(17)13-11(3)18-7-5-15-13;/h10-13,15H,4-9H2,1-3H3;1H/t11-,12?,13+;/m1./s1
InChIKeyLUSLEXRLLRBYSS-CSYBZOQDSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120935890
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
[4-(cyclopropylmethoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120935599
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176610704

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 120932218) is [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is CC(C)CC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is LUSLEXRLLRBYSS-CSYBZOQDSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-10(2)8-12-4-6-16(9-12)14(17)13-11(3)18-7-5-15-13;/h10-13,15H,4-9H2,1-3H3;1H/t11-,12?,13+;/m1./s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120932218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).