ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate

C16H26N2O5 — CID 18173554

IUPACethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C16H26N2O5/c1-2-21-14(19)13-4-3-7-18(12-13)15(20)17-8-5-16(6-9-17)22-10-11-23-16/h13H,2-12H2,1H3
InChIKeyBBMZGLPHTWITRR-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.22
Rot. Bonds2

About ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate

ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate (PubChem CID 18173554) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate
PubChem CID18173554
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nameethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C16H26N2O5/c1-2-21-14(19)13-4-3-7-18(12-13)15(20)17-8-5-16(6-9-17)22-10-11-23-16/h13H,2-12H2,1H3
InChIKeyBBMZGLPHTWITRR-UHFFFAOYSA-N
XLogP1.22
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate
CID 18173872
1-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-ethylpiperidine-3-carboxylic acid
CID 70167354
1-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 91547424
(2-Methoxycyclohexyl) 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
CID 56796021
Ethyl 1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
CID 79162469
Ethyl 1-(4-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
CID 79162665
ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate
CID 81329179
ethyl (3R)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate
CID 81329592
[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
CID 95571326
[(1R,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
CID 95571328
Ethyl 1-(piperidine-1-carbonyl)piperidine-3-carboxylate
CID 113221656
ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
CID 115536037

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate (CID 18173554) is ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate?
The InChIKey is BBMZGLPHTWITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-21-14(19)13-4-3-7-18(12-13)15(20)17-8-5-16(6-9-17)22-10-11-23-16/h13H,2-12H2,1H3.
What are the key properties of ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 18173554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).