N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide

C16H30N2O2 — CID 110822230

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-14(19)17-13-6-8-18(9-7-13)15(20)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyKSKAQAQSPAMWJB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 110822230) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID110822230
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)10-14(19)17-13-6-8-18(9-7-13)15(20)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyKSKAQAQSPAMWJB-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

3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
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-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide (CID 110822230) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is KSKAQAQSPAMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)10-14(19)17-13-6-8-18(9-7-13)15(20)11-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide 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 N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110822230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).