N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride

C13H27Cl2N3O2 — CID 119850990

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCCN(CCNC(=O)C2COCCN2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyVBNVOVORORFISL-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.67
Rot. Bonds4

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

N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119850990) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119850990
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCCN(CCNC(=O)C2COCCN2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyVBNVOVORORFISL-UHFFFAOYSA-N
XLogP0.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 119850991
(2R,3S)-2-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939237
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119851040
N-[2-(3-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 51080907
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
N-[(3-methylcyclohexyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119750252
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
N-[2-(3-methylmorpholin-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119876503
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119898858
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
CID 119874815

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride (CID 119850990) is N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride is CC1CCCN(CCNC(=O)C2COCCN2)C1.Cl.Cl.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is VBNVOVORORFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H.
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119850990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).