N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride

C16H33Cl2N3O2 — CID 119849807

IUPACN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2COCCN2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12(2)15(19-7-4-13(3)5-8-19)10-18-16(20)14-11-21-9-6-17-14;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H
InChIKeyGMVXEDXEFOTHCX-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.69
Rot. Bonds5

About N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride

N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119849807) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119849807
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2COCCN2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12(2)15(19-7-4-13(3)5-8-19)10-18-16(20)14-11-21-9-6-17-14;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H
InChIKeyGMVXEDXEFOTHCX-UHFFFAOYSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)morpholine-3-carboxamide;dihydrochloride
CID 119842166
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
CID 99596683
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
2-hydroxy-3-(morpholine-3-carbonylamino)propanoic acid
CID 66167386
4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
CID 114428726
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119850990

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride (CID 119849807) is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride is CC1CCN(C(CNC(=O)C2COCCN2)C(C)C)CC1.Cl.Cl.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is GMVXEDXEFOTHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-12(2)15(19-7-4-13(3)5-8-19)10-18-16(20)14-11-21-9-6-17-14;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride?
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119849807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).