3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride

C14H19Cl2N3O4 — CID 119426675

IUPAC3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C14H18ClN3O4.ClH/c15-10-3-4-13(12(8-10)18(20)21)22-7-5-14(19)17-11-2-1-6-16-9-11;/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,19);1H
InChIKeyWYVBZOWMZWSOII-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.31
Rot. Bonds6

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

3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119426675) has the molecular formula C14H19Cl2N3O4 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119426675
Molecular FormulaC14H19Cl2N3O4
Molecular Weight364.23 g/mol
Exact Mass363.08
IUPAC Name3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C14H18ClN3O4.ClH/c15-10-3-4-13(12(8-10)18(20)21)22-7-5-14(19)17-11-2-1-6-16-9-11;/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,19);1H
InChIKeyWYVBZOWMZWSOII-UHFFFAOYSA-N
XLogP2.31
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943628
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119574074
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
N-(3-aminopropyl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119406880
(2S)-1-[3-(4-chloro-2-nitrophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366270
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 38931003
3-(4-chloro-2-nitrophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119623516

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride (CID 119426675) is 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCNC1.
What is the InChIKey of 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is WYVBZOWMZWSOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4.ClH/c15-10-3-4-13(12(8-10)18(20)21)22-7-5-14(19)17-11-2-1-6-16-9-11;/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,19);1H.
What are the key properties of 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 364.23 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119426675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).