ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate

C14H25NO3 — CID 3965408

IUPACethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)(C)CC)C1
InChIInChI=1S/C14H25NO3/c1-5-14(3,4)13(17)15-9-7-8-11(10-15)12(16)18-6-2/h11H,5-10H2,1-4H3
InChIKeyNGFHDMKSBDTBHG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds4

About ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate

ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate (PubChem CID 3965408) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate
PubChem CID3965408
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)(C)CC)C1
InChIInChI=1S/C14H25NO3/c1-5-14(3,4)13(17)15-9-7-8-11(10-15)12(16)18-6-2/h11H,5-10H2,1-4H3
InChIKeyNGFHDMKSBDTBHG-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate 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

1-Methylnipecotinic acid methyl ester
CID 15535
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
Ethyl 1-(2-chloroacetyl)piperidine-3-carboxylate
CID 4657580
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-(ethoxyacetyl)-3-piperidinecarboxylate
CID 2947372
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
Methyl N-methylnipecotate methobromide
CID 9881457
Ethyl (S)-N-Boc-piperidine-3-carboxylate
CID 1514445
Piperidinium, 1-ethyl-3-(methoxycarbonyl)-1-methyl-, bromide
CID 3048291
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate (CID 3965408) is ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(C)(C)CC)C1.
What is the InChIKey of ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate?
The InChIKey is NGFHDMKSBDTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-14(3,4)13(17)15-9-7-8-11(10-15)12(16)18-6-2/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate?
ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethylbutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 3965408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).