ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate

C14H24N2O3 — CID 113221655

IUPACethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)12-6-10-16(11-7-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3
InChIKeyHYZOWYJSUWGFLM-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.87
Rot. Bonds2

About ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate

ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 113221655) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID113221655
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)12-6-10-16(11-7-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3
InChIKeyHYZOWYJSUWGFLM-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Tert-butyl 1-(1-isopropylpiperazine-4-carbonyl)piperidine-4-carboxylate
CID 44418482
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
Methyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 652792
Ethyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 669644
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2987642
Methyl 1-carbamoylpiperidine-4-carboxylate
CID 4850926
Isonipecotic acid, N-methoxycarbonyl-, propyl ester
CID 91725475
Isonipecotic acid, N-(3-methylbutyryl)-, propyl ester
CID 91725535

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate (CID 113221655) is ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is HYZOWYJSUWGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)12-6-10-16(11-7-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3.
What are the key properties of ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate?
ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(piperidine-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 113221655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).