[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

C15H29Cl2N3O2 — CID 120938754

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(N2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-12-14(16-6-11-20-12)15(19)18-9-4-13(5-10-18)17-7-2-3-8-17;;/h12-14,16H,2-11H2,1H3;2*1H/t12-,14+;;/m1../s1
InChIKeyVBEHZVALRSQEFF-DAIKJZOUSA-N
MW354.32 g/mol
LogP1.29
Rot. Bonds2

About [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 120938754) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID120938754
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(N2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-12-14(16-6-11-20-12)15(19)18-9-4-13(5-10-18)17-7-2-3-8-17;;/h12-14,16H,2-11H2,1H3;2*1H/t12-,14+;;/m1../s1
InChIKeyVBEHZVALRSQEFF-DAIKJZOUSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
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
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (CID 120938754) is [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(N2CCCC2)CC1.Cl.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is VBEHZVALRSQEFF-DAIKJZOUSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c1-12-14(16-6-11-20-12)15(19)18-9-4-13(5-10-18)17-7-2-3-8-17;;/h12-14,16H,2-11H2,1H3;2*1H/t12-,14+;;/m1../s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120938754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).