3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide

C15H20ClN3O4 — CID 75478760

IUPAC3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide
SMILESCOC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O4/c1-23-12-4-7-18(8-5-12)9-6-17-15(20)11-2-3-14(19(21)22)13(16)10-11/h2-3,10,12H,4-9H2,1H3,(H,17,20)
InChIKeyDOACVOGFEZOXMA-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.09
Rot. Bonds6

About 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide

3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide (PubChem CID 75478760) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide
PubChem CID75478760
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide
SMILESCOC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O4/c1-23-12-4-7-18(8-5-12)9-6-17-15(20)11-2-3-14(19(21)22)13(16)10-11/h2-3,10,12H,4-9H2,1H3,(H,17,20)
InChIKeyDOACVOGFEZOXMA-UHFFFAOYSA-N
XLogP2.09
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 82778500
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291
4-chloro-3-nitro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522661
N-(2-butoxyethyl)-3-chloro-4-nitrobenzamide
CID 82780869
3-chloro-N-(cyanomethyl)-4-nitrobenzamide
CID 82780665
2-[(3-chloro-4-nitrobenzoyl)amino]ethyl carbamate
CID 83210859
4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 35416343
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
CID 115868875
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 16895526
3-chloro-N-(5-methylhexyl)-4-nitrobenzamide
CID 82781662

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide (CID 75478760) is 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide is COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide?
The InChIKey is DOACVOGFEZOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-23-12-4-7-18(8-5-12)9-6-17-15(20)11-2-3-14(19(21)22)13(16)10-11/h2-3,10,12H,4-9H2,1H3,(H,17,20).
What are the key properties of 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide?
3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide has a molecular weight of 341.80 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 75478760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).