1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one

C45H94Ar4N10O8 — CID 158430023

IUPAC1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one
SMILESC.C.C.C.C.C.CC(=O)N1CCC(=O)CC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(N=[N+]=[N-])CC1.CC(=O)N1CCC(O)CC1.CN1CCC(=O)CC1.O=C1CCNCC1.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C7H12N4O.C7H14N2O.C7H13NO2.C7H11NO2.C6H11NO.C5H9NO.6CH4.4Ar/c1-6(12)11-4-2-7(3-5-11)9-10-8;1-6(10)9-4-2-7(8)3-5-9;2*1-6(9)8-4-2-7(10)3-5-8;1-7-4-2-6(8)3-5-7;7-5-1-3-6-4-2-5;;;;;;;;;;/h7H,2-5H2,1H3;7H,2-5,8H2,1H3;7,10H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;6H,1-4H2;6*1H4;;;;
InChIKeyHBNRDCFWBXITIS-UHFFFAOYSA-N
MW1063.10 g/mol
LogP5.49
Rot. Bonds1

About 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one

1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one (PubChem CID 158430023) has the molecular formula C45H94Ar4N10O8 and a molecular weight of 1063.10 g/mol. Its IUPAC name is 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one.

Molecular Properties

Compound Name1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one
PubChem CID158430023
Molecular FormulaC45H94Ar4N10O8
Molecular Weight1063.10 g/mol
Exact Mass1062.58
IUPAC Name1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one
SMILESC.C.C.C.C.C.CC(=O)N1CCC(=O)CC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(N=[N+]=[N-])CC1.CC(=O)N1CCC(O)CC1.CN1CCC(=O)CC1.O=C1CCNCC1.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C7H12N4O.C7H14N2O.C7H13NO2.C7H11NO2.C6H11NO.C5H9NO.6CH4.4Ar/c1-6(12)11-4-2-7(3-5-11)9-10-8;1-6(10)9-4-2-7(8)3-5-9;2*1-6(9)8-4-2-7(10)3-5-8;1-7-4-2-6(8)3-5-7;7-5-1-3-6-4-2-5;;;;;;;;;;/h7H,2-5H2,1H3;7H,2-5,8H2,1H3;7,10H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;6H,1-4H2;6*1H4;;;;
InChIKeyHBNRDCFWBXITIS-UHFFFAOYSA-N
XLogP5.49
TPSA242.73 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.10
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-Acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;1-methylpiperidin-4-one;piperidin-4-one
CID 157331389
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-ol;1-tert-butylpiperidin-4-one;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;2-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanol;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 157440951
1-(4-Aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;methane;piperidin-4-ol
CID 157744617
Tert-butyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;piperidin-4-ol;1-piperidin-4-ylpiperidin-4-ol
CID 158247662
1-(4-Aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol
CID 159528790
N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methylpropanamide;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
CID 159597243
N,N-diethyl-1-methylpiperidin-4-amine;1,4-dimethylpiperazine;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methylpiperidin-4-ol;2-methylpropanamide;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;N,N,1-trimethylpiperidin-4-amine
CID 161941482
1-tert-butyl-N,N-diethylpiperidin-4-amine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidin-4-ol;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methylpropanamide;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 162012899

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one?
The IUPAC name of 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one (CID 158430023) is 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one.
What is the SMILES notation for 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one?
The canonical SMILES for 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one is C.C.C.C.C.C.CC(=O)N1CCC(=O)CC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(N=[N+]=[N-])CC1.CC(=O)N1CCC(O)CC1.CN1CCC(=O)CC1.O=C1CCNCC1.[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one?
The InChIKey is HBNRDCFWBXITIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.C7H14N2O.C7H13NO2.C7H11NO2.C6H11NO.C5H9NO.6CH4.4Ar/c1-6(12)11-4-2-7(3-5-11)9-10-8;1-6(10)9-4-2-7(8)3-5-9;2*1-6(9)8-4-2-7(10)3-5-8;1-7-4-2-6(8)3-5-7;7-5-1-3-6-4-2-5;;;;;;;;;;/h7H,2-5H2,1H3;7H,2-5,8H2,1H3;7,10H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;6H,1-4H2;6*1H4;;;;.
What are the key properties of 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one?
1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one has a molecular weight of 1063.10 g/mol, XLogP of 5.49, 1 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidin-4-one;1-(4-aminopiperidin-1-yl)ethanone;argon;1-(4-azidopiperidin-1-yl)ethanone;1-(4-hydroxypiperidin-1-yl)ethanone;methane;1-methylpiperidin-4-one;piperidin-4-one is sourced from PubChem (CID 158430023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).