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

C18H29Cl2N3O2 — CID 120942286

IUPAC[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
SMILESCc1cccc(NC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-13-4-3-5-16(12-13)20-15-6-9-21(10-7-15)18(22)17-14(2)23-11-8-19-17;;/h3-5,12,14-15,17,19-20H,6-11H2,1-2H3;2*1H/t14-,17+;;/m1../s1
InChIKeyPMJCUGZCRVWUEW-YSEASCLGSA-N
MW390.36 g/mol
LogP2.62
Rot. Bonds3

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

[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride (PubChem CID 120942286) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
PubChem CID120942286
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
SMILESCc1cccc(NC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-13-4-3-5-16(12-13)20-15-6-9-21(10-7-15)18(22)17-14(2)23-11-8-19-17;;/h3-5,12,14-15,17,19-20H,6-11H2,1-2H3;2*1H/t14-,17+;;/m1../s1
InChIKeyPMJCUGZCRVWUEW-YSEASCLGSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride with MolForge

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Related Compounds

ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2,5-dimethyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 120930813
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
2-methyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 120930820
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066
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
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The IUPAC name of [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride (CID 120942286) is [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride is Cc1cccc(NC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1.Cl.Cl.
What is the InChIKey of [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The InChIKey is PMJCUGZCRVWUEW-YSEASCLGSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-13-4-3-5-16(12-13)20-15-6-9-21(10-7-15)18(22)17-14(2)23-11-8-19-17;;/h3-5,12,14-15,17,19-20H,6-11H2,1-2H3;2*1H/t14-,17+;;/m1../s1.
What are the key properties of [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride is sourced from PubChem (CID 120942286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).