ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate

C12H21NO5 — CID 57137789

IUPACethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(OC(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-2-17-11(14)4-3-7-13-8-5-10(6-9-13)18-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyDNSKITBBTHXARF-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.49
Rot. Bonds6

About ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate

ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate (PubChem CID 57137789) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
PubChem CID57137789
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Nameethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(OC(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-2-17-11(14)4-3-7-13-8-5-10(6-9-13)18-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyDNSKITBBTHXARF-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
CID 114961425

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate?
The IUPAC name of ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate (CID 57137789) is ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate is CCOC(=O)CCCN1CCC(OC(=O)O)CC1.
What is the InChIKey of ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate?
The InChIKey is DNSKITBBTHXARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-2-17-11(14)4-3-7-13-8-5-10(6-9-13)18-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate?
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate has a molecular weight of 259.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate is sourced from PubChem (CID 57137789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).