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

C18H32ClN3O3 — CID 120928753

IUPACN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H31N3O3.ClH/c1-13-16(19-9-12-24-13)18(23)21-10-7-15(8-11-21)20-17(22)14-5-3-2-4-6-14;/h13-16,19H,2-12H2,1H3,(H,20,22);1H/t13-,16+;/m1./s1
InChIKeyJSUFVASVAGDKNM-CACIRBSMSA-N
MW373.93 g/mol
LogP1.47
Rot. Bonds3

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

N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120928753) has the molecular formula C18H32ClN3O3 and a molecular weight of 373.93 g/mol. Its IUPAC name is N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120928753
Molecular FormulaC18H32ClN3O3
Molecular Weight373.93 g/mol
Exact Mass373.21
IUPAC NameN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H31N3O3.ClH/c1-13-16(19-9-12-24-13)18(23)21-10-7-15(8-11-21)20-17(22)14-5-3-2-4-6-14;/h13-16,19H,2-12H2,1H3,(H,20,22);1H/t13-,16+;/m1./s1
InChIKeyJSUFVASVAGDKNM-CACIRBSMSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

[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
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066
2,5-dimethyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 120930813
N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide
CID 120938428
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
2-methyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 120930820
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride (CID 120928753) is N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1.Cl.
What is the InChIKey of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is JSUFVASVAGDKNM-CACIRBSMSA-N. The full InChI is InChI=1S/C18H31N3O3.ClH/c1-13-16(19-9-12-24-13)18(23)21-10-7-15(8-11-21)20-17(22)14-5-3-2-4-6-14;/h13-16,19H,2-12H2,1H3,(H,20,22);1H/t13-,16+;/m1./s1.
What are the key properties of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120928753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).