3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide

C15H20ClN3O4 — CID 119442830

IUPAC3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C15H20ClN3O4/c1-18(12-4-7-17-8-5-12)15(20)6-9-23-14-3-2-11(16)10-13(14)19(21)22/h2-3,10,12,17H,4-9H2,1H3
InChIKeyBZPQWUPYEPESIJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.23
Rot. Bonds6

About 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide

3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 119442830) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID119442830
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C15H20ClN3O4/c1-18(12-4-7-17-8-5-12)15(20)6-9-23-14-3-2-11(16)10-13(14)19(21)22/h2-3,10,12,17H,4-9H2,1H3
InChIKeyBZPQWUPYEPESIJ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
4-(4-chloro-2-nitrophenoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553316
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
N-(1-aminopropan-2-yl)-3-(4-chloro-2-nitrophenoxy)-N-methylpropanamide
CID 119583214
3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943628
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119444531
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide (CID 119442830) is 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide is CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCNCC1.
What is the InChIKey of 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is BZPQWUPYEPESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-18(12-4-7-17-8-5-12)15(20)6-9-23-14-3-2-11(16)10-13(14)19(21)22/h2-3,10,12,17H,4-9H2,1H3.
What are the key properties of 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 341.80 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119442830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).