N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride

C18H28Cl2N4O3 — CID 119899006

IUPACN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3COCCN3)c2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O3.2ClH/c1-21-6-8-22(9-7-21)17(23)12-14-3-2-4-15(11-14)20-18(24)16-13-25-10-5-19-16;;/h2-4,11,16,19H,5-10,12-13H2,1H3,(H,20,24);2*1H
InChIKeyAXYUKXBTFKVTHF-UHFFFAOYSA-N
MW419.35 g/mol
LogP0.77
Rot. Bonds4

About N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride

N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119899006) has the molecular formula C18H28Cl2N4O3 and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119899006
Molecular FormulaC18H28Cl2N4O3
Molecular Weight419.35 g/mol
Exact Mass418.15
IUPAC NameN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3COCCN3)c2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O3.2ClH/c1-21-6-8-22(9-7-21)17(23)12-14-3-2-4-15(11-14)20-18(24)16-13-25-10-5-19-16;;/h2-4,11,16,19H,5-10,12-13H2,1H3,(H,20,24);2*1H
InChIKeyAXYUKXBTFKVTHF-UHFFFAOYSA-N
XLogP0.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119899026
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride (CID 119899006) is N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride is CN1CCN(C(=O)Cc2cccc(NC(=O)C3COCCN3)c2)CC1.Cl.Cl.
What is the InChIKey of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is AXYUKXBTFKVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.2ClH/c1-21-6-8-22(9-7-21)17(23)12-14-3-2-4-15(11-14)20-18(24)16-13-25-10-5-19-16;;/h2-4,11,16,19H,5-10,12-13H2,1H3,(H,20,24);2*1H.
What are the key properties of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride?
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 419.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119899006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).