4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

C19H28N4O4 — CID 18150905

IUPAC4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESCC1CCCN(c2ccc(C(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C19H28N4O4/c1-15-3-2-7-22(14-15)17-5-4-16(13-18(17)23(25)26)19(24)20-6-8-21-9-11-27-12-10-21/h4-5,13,15H,2-3,6-12,14H2,1H3,(H,20,24)
InChIKeyZLUXHHYMIPYTCS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.89
Rot. Bonds6

About 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (PubChem CID 18150905) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
PubChem CID18150905
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESCC1CCCN(c2ccc(C(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C19H28N4O4/c1-15-3-2-7-22(14-15)17-5-4-16(13-18(17)23(25)26)19(24)20-6-8-21-9-11-27-12-10-21/h4-5,13,15H,2-3,6-12,14H2,1H3,(H,20,24)
InChIKeyZLUXHHYMIPYTCS-UHFFFAOYSA-N
XLogP1.89
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.89
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

N-methyl-4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-3-nitrobenzamide
CID 16962507
4-(3-methylpiperidin-1-yl)-3-nitro-N-pentan-2-ylbenzamide
CID 24624939
N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 25347780
N-[2,6-di(propan-2-yl)phenyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18276209
4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7831848
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
N-[(2-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7891915
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55615924
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 124839176
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate
CID 24518313
4-(3,5-dimethylpiperidin-1-yl)-N-[2-(methylamino)ethyl]-3-nitrobenzamide
CID 119503952
5-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229499

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (CID 18150905) is 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is CC1CCCN(c2ccc(C(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The InChIKey is ZLUXHHYMIPYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-15-3-2-7-22(14-15)17-5-4-16(13-18(17)23(25)26)19(24)20-6-8-21-9-11-27-12-10-21/h4-5,13,15H,2-3,6-12,14H2,1H3,(H,20,24).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide has a molecular weight of 376.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 18150905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).