ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate

C14H26N2O3 — CID 110756025

IUPACethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)16-8-6-11(7-9-16)15-12(17)10-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyYMDYSZCQHCVHPE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds3

About ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate

ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate (PubChem CID 110756025) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
PubChem CID110756025
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)16-8-6-11(7-9-16)15-12(17)10-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyYMDYSZCQHCVHPE-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
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
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate (CID 110756025) is ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate?
The InChIKey is YMDYSZCQHCVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-13(18)16-8-6-11(7-9-16)15-12(17)10-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate?
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).