3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide

C16H30N2O2 — CID 110819637

IUPAC3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-15(20)18-8-6-13(7-9-18)17-14(19)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyZDOCLGCHVWYELU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds4

About 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide (PubChem CID 110819637) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
PubChem CID110819637
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-15(20)18-8-6-13(7-9-18)17-14(19)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyZDOCLGCHVWYELU-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide (CID 110819637) is 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide is CC(C)CC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide?
The InChIKey is ZDOCLGCHVWYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)10-15(20)18-8-6-13(7-9-18)17-14(19)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide has a molecular weight of 282.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 110819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).