1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide

C30H61N3O2 — CID 167691629

IUPAC1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide
SMILESCC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(=O)CCC(C)(C)C
InChIInChI=1S/C12H23NO.C9H19NO.C9H19N/c1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)10-7-5-4-6-8-10/h4-10H2,1-3H3;6-7H2,1-5H3;4-8H2,1-3H3
InChIKeyXAMNGXRTDXMZKL-UHFFFAOYSA-N
MW495.84 g/mol
LogP7.00
Rot. Bonds4

About 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide

1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide (PubChem CID 167691629) has the molecular formula C30H61N3O2 and a molecular weight of 495.84 g/mol. Its IUPAC name is 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide.

Molecular Properties

Compound Name1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide
PubChem CID167691629
Molecular FormulaC30H61N3O2
Molecular Weight495.84 g/mol
Exact Mass495.48
IUPAC Name1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide
SMILESCC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(=O)CCC(C)(C)C
InChIInChI=1S/C12H23NO.C9H19NO.C9H19N/c1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)10-7-5-4-6-8-10/h4-10H2,1-3H3;6-7H2,1-5H3;4-8H2,1-3H3
InChIKeyXAMNGXRTDXMZKL-UHFFFAOYSA-N
XLogP7.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.84
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-piperidin-1-ylbutan-1-one;methane;N,N,3,3-tetramethylbutanamide
CID 167604312
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide?
The IUPAC name of 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide (CID 167691629) is 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide.
What is the SMILES notation for 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide?
The canonical SMILES for 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide is CC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(=O)CCC(C)(C)C.
What is the InChIKey of 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide?
The InChIKey is XAMNGXRTDXMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C9H19NO.C9H19N/c1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)10-7-5-4-6-8-10/h4-10H2,1-3H3;6-7H2,1-5H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide?
1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide has a molecular weight of 495.84 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;N,N,4,4-tetramethylpentanamide is sourced from PubChem (CID 167691629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).