N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

C17H31N3O2 — CID 173486390

IUPACN-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)N1CCCCC1C
InChIInChI=1S/C17H31N3O2/c1-12-9-7-8-10-20(12)17(5,6)15(22)19-14(18)11-13(21)16(2,3)4/h11-12,21H,7-10H2,1-6H3,(H2,18,19,22)/b13-11-
InChIKeyCSKYLQLNHQHCNE-QBFSEMIESA-N
MW309.45 g/mol
LogP3.22
Rot. Bonds3

About N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 173486390) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID173486390
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)N1CCCCC1C
InChIInChI=1S/C17H31N3O2/c1-12-9-7-8-10-20(12)17(5,6)15(22)19-14(18)11-13(21)16(2,3)4/h11-12,21H,7-10H2,1-6H3,(H2,18,19,22)/b13-11-
InChIKeyCSKYLQLNHQHCNE-QBFSEMIESA-N
XLogP3.22
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
CID 173486398
3-amino-5-hydroxy-4,4-dimethyl-N-[2-methyl-2-(2-methylpiperidin-1-yl)propanoyl]pent-2-enamide
CID 148903882
(2S)-1-(4-chlorophenyl)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]pyrrolidine-2-carboxamide
CID 173480363
2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
CID 82040589
(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
CID 124824951
N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 136617843
2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
CID 173466372
N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 91227549
(2R)-2-methyl-1-(2-methylbutan-2-yl)piperidine
CID 135276968
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (CID 173486390) is N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is [H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)N1CCCCC1C.
What is the InChIKey of N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is CSKYLQLNHQHCNE-QBFSEMIESA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-9-7-8-10-20(12)17(5,6)15(22)19-14(18)11-13(21)16(2,3)4/h11-12,21H,7-10H2,1-6H3,(H2,18,19,22)/b13-11-.
What are the key properties of N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 309.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 173486390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).