N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide

C18H24N4O5 — CID 95787435

IUPACN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCCC[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24N4O5/c1-19-17(23)13-5-6-14(16(12-13)22(25)26)21-7-3-2-4-15(21)18(24)20-8-10-27-11-9-20/h5-6,12,15H,2-4,7-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyRMVOBNLZRXXOBN-HNNXBMFYSA-N
MW376.41 g/mol
LogP1.17
Rot. Bonds4

About N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide

N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide (PubChem CID 95787435) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
PubChem CID95787435
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCCC[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24N4O5/c1-19-17(23)13-5-6-14(16(12-13)22(25)26)21-7-3-2-4-15(21)18(24)20-8-10-27-11-9-20/h5-6,12,15H,2-4,7-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyRMVOBNLZRXXOBN-HNNXBMFYSA-N
XLogP1.17
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
CID 56789582
4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
CID 47370355
4-[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 124799982
4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
CID 133381220
4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide
CID 97221905
(2R)-1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxylic acid
CID 122051881
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
4-(4,4-dimethylazepan-1-yl)-N-methyl-3-nitrobenzamide
CID 133323339
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 34100038
(2R)-1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid
CID 120965117
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide?
The IUPAC name of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide (CID 95787435) is N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide.
What is the SMILES notation for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide?
The canonical SMILES for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide is CNC(=O)c1ccc(N2CCCC[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide?
The InChIKey is RMVOBNLZRXXOBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-19-17(23)13-5-6-14(16(12-13)22(25)26)21-7-3-2-4-15(21)18(24)20-8-10-27-11-9-20/h5-6,12,15H,2-4,7-11H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide?
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide has a molecular weight of 376.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide is sourced from PubChem (CID 95787435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).