2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide

C15H22N4O3 — CID 119557911

IUPAC2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCCNC1
InChIInChI=1S/C15H22N4O3/c20-15(17-9-7-12-4-3-8-16-10-12)11-18-13-5-1-2-6-14(13)19(21)22/h1-2,5-6,12,16,18H,3-4,7-11H2,(H,17,20)
InChIKeyKGCWVYCNDKMUOR-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.51
Rot. Bonds7

About 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide

2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119557911) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119557911
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCCNC1
InChIInChI=1S/C15H22N4O3/c20-15(17-9-7-12-4-3-8-16-10-12)11-18-13-5-1-2-6-14(13)19(21)22/h1-2,5-6,12,16,18H,3-4,7-11H2,(H,17,20)
InChIKeyKGCWVYCNDKMUOR-UHFFFAOYSA-N
XLogP1.51
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
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

2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-3-ylethyl)propanamide
CID 119559099
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
N-[2-(2-nitroanilino)ethyl]-3-piperidin-3-ylbutanamide
CID 119692379
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
N-[2-(2-nitroanilino)ethyl]pyrrolidine-3-carboxamide
CID 119692403
3-fluoro-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 63629259

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide (CID 119557911) is 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide is O=C(CNc1ccccc1[N+](=O)[O-])NCCC1CCCNC1.
What is the InChIKey of 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is KGCWVYCNDKMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-15(17-9-7-12-4-3-8-16-10-12)11-18-13-5-1-2-6-14(13)19(21)22/h1-2,5-6,12,16,18H,3-4,7-11H2,(H,17,20).
What are the key properties of 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide?
2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119557911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).