ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate

C12H22N2O4 — CID 82775103

IUPACethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(16)7-10(15)8-14-5-3-9(4-6-14)12(13)17/h9-10,15H,2-8H2,1H3,(H2,13,17)
InChIKeyOMZAQZNTQXJACL-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.50
Rot. Bonds6

About ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate

ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate (PubChem CID 82775103) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
PubChem CID82775103
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(16)7-10(15)8-14-5-3-9(4-6-14)12(13)17/h9-10,15H,2-8H2,1H3,(H2,13,17)
InChIKeyOMZAQZNTQXJACL-UHFFFAOYSA-N
XLogP-0.50
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
ethyl 3-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]butanoate
CID 114798276
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
ethyl 3-hydroxy-4-(3-hydroxypiperidin-1-yl)butanoate
CID 82769218
ethyl 3-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 82768968
ethyl 4-(3-ethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82778322
ethyl 3-hydroxy-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoate
CID 82770662
ethyl 3-hydroxy-4-(5-oxo-1,4-diazepan-1-yl)butanoate
CID 82768810
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
1-propylpiperidine-4-carboxamide
CID 18678413
ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82770626

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate (CID 82775103) is ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate?
The InChIKey is OMZAQZNTQXJACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-11(16)7-10(15)8-14-5-3-9(4-6-14)12(13)17/h9-10,15H,2-8H2,1H3,(H2,13,17).
What are the key properties of ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate?
ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate has a molecular weight of 258.32 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82775103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).