N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide

C16H29N3O2 — CID 104931466

IUPACN-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide
SMILESCCC1CN(CC(=O)NC2CCCCCC2)CCC1=NO
InChIInChI=1S/C16H29N3O2/c1-2-13-11-19(10-9-15(13)18-21)12-16(20)17-14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H,17,20)
InChIKeyRTHPGKKRIQKBDG-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.39
Rot. Bonds4

About N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide

N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide (PubChem CID 104931466) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide
PubChem CID104931466
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide
SMILESCCC1CN(CC(=O)NC2CCCCCC2)CCC1=NO
InChIInChI=1S/C16H29N3O2/c1-2-13-11-19(10-9-15(13)18-21)12-16(20)17-14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H,17,20)
InChIKeyRTHPGKKRIQKBDG-UHFFFAOYSA-N
XLogP2.39
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78787403
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
N-cyclohexyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499077
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide (CID 104931466) is N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide is CCC1CN(CC(=O)NC2CCCCCC2)CCC1=NO.
What is the InChIKey of N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide?
The InChIKey is RTHPGKKRIQKBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-13-11-19(10-9-15(13)18-21)12-16(20)17-14-7-5-3-4-6-8-14/h13-14,21H,2-12H2,1H3,(H,17,20).
What are the key properties of N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide?
N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide is sourced from PubChem (CID 104931466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).