(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide

C16H20N4O2 — CID 166299163

IUPAC(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)[C@@H]3COCCN3)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-16(21)15-9-22-8-7-17-15/h3-6,10,15,17H,7-9H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyGLSJYEHKSFCWRY-HNNXBMFYSA-N
MW300.36 g/mol
LogP1.42
Rot. Bonds3

About (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide

(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide (PubChem CID 166299163) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
PubChem CID166299163
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)[C@@H]3COCCN3)cc2)c1C
InChIInChI=1S/C16H20N4O2/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-16(21)15-9-22-8-7-17-15/h3-6,10,15,17H,7-9H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyGLSJYEHKSFCWRY-HNNXBMFYSA-N
XLogP1.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 167905834
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide
CID 167915147
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119761499
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119762118

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide (CID 166299163) is (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)[C@@H]3COCCN3)cc2)c1C.
What is the InChIKey of (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide?
The InChIKey is GLSJYEHKSFCWRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-16(21)15-9-22-8-7-17-15/h3-6,10,15,17H,7-9H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide?
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 166299163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).