2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide

C13H17N3O2 — CID 170903784

IUPAC2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)C1CCCCN1N=O
InChIInChI=1S/C13H17N3O2/c14-13(17)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)15-18/h1-3,6-7,11-12H,4-5,8-9H2,(H2,14,17)
InChIKeyRJGLMYLGWYJHQV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.79
Rot. Bonds4

About 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide

2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide (PubChem CID 170903784) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide
PubChem CID170903784
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)C1CCCCN1N=O
InChIInChI=1S/C13H17N3O2/c14-13(17)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)15-18/h1-3,6-7,11-12H,4-5,8-9H2,(H2,14,17)
InChIKeyRJGLMYLGWYJHQV-UHFFFAOYSA-N
XLogP1.79
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol
CID 125491667
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
2-[1-(chloromethoxycarbonyl)piperidin-2-yl]-2-phenylacetic acid
CID 178113845
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide
CID 118962245
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-phenylacetamide
CID 98752121

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide?
The IUPAC name of 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide (CID 170903784) is 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide is NC(=O)C(c1ccccc1)C1CCCCN1N=O.
What is the InChIKey of 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide?
The InChIKey is RJGLMYLGWYJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(17)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)15-18/h1-3,6-7,11-12H,4-5,8-9H2,(H2,14,17).
What are the key properties of 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide?
2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 170903784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).