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

C17H30ClN3O3 — CID 120919129

IUPAC[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)N2CCCCC2)CC1.Cl
InChIInChI=1S/C17H29N3O3.ClH/c1-13-15(18-7-12-23-13)17(22)20-10-5-14(6-11-20)16(21)19-8-3-2-4-9-19;/h13-15,18H,2-12H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyQYJBJXDCLOEDRI-PBCQUBLHSA-N
MW359.90 g/mol
LogP1.04
Rot. Bonds2

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

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 120919129) has the molecular formula C17H30ClN3O3 and a molecular weight of 359.90 g/mol. Its IUPAC name is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID120919129
Molecular FormulaC17H30ClN3O3
Molecular Weight359.90 g/mol
Exact Mass359.20
IUPAC Name[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)N2CCCCC2)CC1.Cl
InChIInChI=1S/C17H29N3O3.ClH/c1-13-15(18-7-12-23-13)17(22)20-10-5-14(6-11-20)16(21)19-8-3-2-4-9-19;/h13-15,18H,2-12H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyQYJBJXDCLOEDRI-PBCQUBLHSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
(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
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 120920419
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (CID 120919129) is [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)N2CCCCC2)CC1.Cl.
What is the InChIKey of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is QYJBJXDCLOEDRI-PBCQUBLHSA-N. The full InChI is InChI=1S/C17H29N3O3.ClH/c1-13-15(18-7-12-23-13)17(22)20-10-5-14(6-11-20)16(21)19-8-3-2-4-9-19;/h13-15,18H,2-12H2,1H3;1H/t13-,15+;/m1./s1.
What are the key properties of [1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 1.04, 2 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]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120919129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).