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

C16H24ClN3O3S — CID 120928066

IUPACN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)c2ccsc2)CC1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-14(17-5-8-22-11)16(21)19-6-2-13(3-7-19)18-15(20)12-4-9-23-10-12;/h4,9-11,13-14,17H,2-3,5-8H2,1H3,(H,18,20);1H/t11-,14+;/m1./s1
InChIKeyKDQSFCGNOXEWCO-GGMFNZDASA-N
MW373.91 g/mol
LogP1.27
Rot. Bonds3

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

N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120928066) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
PubChem CID120928066
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)c2ccsc2)CC1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-14(17-5-8-22-11)16(21)19-6-2-13(3-7-19)18-15(20)12-4-9-23-10-12;/h4,9-11,13-14,17H,2-3,5-8H2,1H3,(H,18,20);1H/t11-,14+;/m1./s1
InChIKeyKDQSFCGNOXEWCO-GGMFNZDASA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 120930820
2,5-dimethyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 120930813
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942286
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120987409
N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide
CID 120938428
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride (CID 120928066) is N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)c2ccsc2)CC1.Cl.
What is the InChIKey of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is KDQSFCGNOXEWCO-GGMFNZDASA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-11-14(17-5-8-22-11)16(21)19-6-2-13(3-7-19)18-15(20)12-4-9-23-10-12;/h4,9-11,13-14,17H,2-3,5-8H2,1H3,(H,18,20);1H/t11-,14+;/m1./s1.
What are the key properties of N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).