N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide

C16H30N2O2 — CID 110819893

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)11-13(19)17-12-7-9-18(10-8-12)14(20)16(4,5)6/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyWRIXBIGPTGKBRZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds2

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 110819893) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID110819893
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)11-13(19)17-12-7-9-18(10-8-12)14(20)16(4,5)6/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyWRIXBIGPTGKBRZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
2-(tert-butylamino)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 49488670
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795
2-(1-aminocyclobutyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 79843554
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
N-(1-hydroxypyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 135300785
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 110819893) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is WRIXBIGPTGKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)11-13(19)17-12-7-9-18(10-8-12)14(20)16(4,5)6/h12H,7-11H2,1-6H3,(H,17,19).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110819893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).