2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide

C11H21N3O2 — CID 43117218

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-3-6-12-11(15)9(2)14-7-4-10(13-16)5-8-14/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyGCQVBSYADYVVTO-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.83
Rot. Bonds4

About 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide

2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide (PubChem CID 43117218) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
PubChem CID43117218
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-3-6-12-11(15)9(2)14-7-4-10(13-16)5-8-14/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyGCQVBSYADYVVTO-UHFFFAOYSA-N
XLogP0.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.83
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

(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 94418958
N-(1-pentan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 107895777
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 82041088
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide (CID 43117218) is 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide?
The InChIKey is GCQVBSYADYVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-6-12-11(15)9(2)14-7-4-10(13-16)5-8-14/h9,16H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide has a molecular weight of 227.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 43117218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).