[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride

C18H25ClN2O3 — CID 120920722

IUPAC[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-13-16(19-9-12-23-13)18(22)20-10-7-15(8-11-20)17(21)14-5-3-2-4-6-14;/h2-6,13,15-16,19H,7-12H2,1H3;1H/t13-,16+;/m1./s1
InChIKeyNKVKWQBGMGWUQW-CACIRBSMSA-N
MW352.86 g/mol
LogP1.91
Rot. Bonds3

About [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 120920722) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
PubChem CID120920722
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-13-16(19-9-12-23-13)18(22)20-10-7-15(8-11-20)17(21)14-5-3-2-4-6-14;/h2-6,13,15-16,19H,7-12H2,1H3;1H/t13-,16+;/m1./s1
InChIKeyNKVKWQBGMGWUQW-CACIRBSMSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
(3-ethyl-4-phenylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120936914
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride (CID 120920722) is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is NKVKWQBGMGWUQW-CACIRBSMSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-13-16(19-9-12-23-13)18(22)20-10-7-15(8-11-20)17(21)14-5-3-2-4-6-14;/h2-6,13,15-16,19H,7-12H2,1H3;1H/t13-,16+;/m1./s1.
What are the key properties of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 120920722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).