N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride

C11H20Cl2N4O2 — CID 119856885

IUPACN-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-9(7-15-4-2-13-8-15)14-11(16)10-6-12-3-5-17-10;;/h2,4,8-10,12H,3,5-7H2,1H3,(H,14,16);2*1H
InChIKeyJLJXNYNYXRFMQU-UHFFFAOYSA-N
MW311.21 g/mol
LogP0.22
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride

N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 119856885) has the molecular formula C11H20Cl2N4O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
PubChem CID119856885
Molecular FormulaC11H20Cl2N4O2
Molecular Weight311.21 g/mol
Exact Mass310.10
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-9(7-15-4-2-13-8-15)14-11(16)10-6-12-3-5-17-10;;/h2,4,8-10,12H,3,5-7H2,1H3,(H,14,16);2*1H
InChIKeyJLJXNYNYXRFMQU-UHFFFAOYSA-N
XLogP0.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]morpholine-2-carboxamide
CID 119863275
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81044808
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
N-[2-(2-imidazol-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119862204

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride (CID 119856885) is N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride is CC(Cn1ccnc1)NC(=O)C1CNCCO1.Cl.Cl.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is JLJXNYNYXRFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2ClH/c1-9(7-15-4-2-13-8-15)14-11(16)10-6-12-3-5-17-10;;/h2,4,8-10,12H,3,5-7H2,1H3,(H,14,16);2*1H.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride?
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 311.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119856885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).