3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide

C16H30N2O3 — CID 170087380

IUPAC3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
SMILESCC(C)OCC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)21-11-15(20)18-8-6-13(7-9-18)17-14(19)10-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyOKDUMZBTQAYEFC-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds5

About 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide (PubChem CID 170087380) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
PubChem CID170087380
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
SMILESCC(C)OCC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)21-11-15(20)18-8-6-13(7-9-18)17-14(19)10-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyOKDUMZBTQAYEFC-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide 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-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide (CID 170087380) is 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide is CC(C)OCC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide?
The InChIKey is OKDUMZBTQAYEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)21-11-15(20)18-8-6-13(7-9-18)17-14(19)10-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide has a molecular weight of 298.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 170087380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).