ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate

C14H24N2O3 — CID 79383234

IUPACethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C14H24N2O3/c1-3-19-14(18)11-5-4-8-16(9-11)13(17)12-6-7-15-10(12)2/h10-12,15H,3-9H2,1-2H3
InChIKeyCGZXBNXQHGCTLI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.79
Rot. Bonds3

About ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 79383234) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
PubChem CID79383234
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C14H24N2O3/c1-3-19-14(18)11-5-4-8-16(9-11)13(17)12-6-7-15-10(12)2/h10-12,15H,3-9H2,1-2H3
InChIKeyCGZXBNXQHGCTLI-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
CID 81344758
(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 79388612
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate (CID 79383234) is ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCNC2C)C1.
What is the InChIKey of ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is CGZXBNXQHGCTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-19-14(18)11-5-4-8-16(9-11)13(17)12-6-7-15-10(12)2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 79383234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).