N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

C13H16ClN3O4 — CID 110877774

IUPACN-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O4/c14-9-3-4-12(17(20)21)11(6-9)15-13(19)8-16-5-1-2-10(18)7-16/h3-4,6,10,18H,1-2,5,7-8H2,(H,15,19)
InChIKeyJQEXWYFGYVQXGI-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.64
Rot. Bonds4

About N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 110877774) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID110877774
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC NameN-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O4/c14-9-3-4-12(17(20)21)11(6-9)15-13(19)8-16-5-1-2-10(18)7-16/h3-4,6,10,18H,1-2,5,7-8H2,(H,15,19)
InChIKeyJQEXWYFGYVQXGI-UHFFFAOYSA-N
XLogP1.64
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.64
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

N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
N-(4-chloro-2-nitrophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019799
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265552
N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
CID 9265553
2-(azepan-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7872756
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717254
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (CID 110877774) is N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide is O=C(CN1CCCC(O)C1)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is JQEXWYFGYVQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c14-9-3-4-12(17(20)21)11(6-9)15-13(19)8-16-5-1-2-10(18)7-16/h3-4,6,10,18H,1-2,5,7-8H2,(H,15,19).
What are the key properties of N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110877774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).