methyl 3-(4-carbamoylpiperidin-1-yl)propanoate

C10H18N2O3 — CID 2095722

IUPACmethyl 3-(4-carbamoylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-15-9(13)4-7-12-5-2-8(3-6-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyDFORLHKMYGSLEU-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.25
Rot. Bonds4

About methyl 3-(4-carbamoylpiperidin-1-yl)propanoate

methyl 3-(4-carbamoylpiperidin-1-yl)propanoate (PubChem CID 2095722) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-(4-carbamoylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-carbamoylpiperidin-1-yl)propanoate
PubChem CID2095722
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 3-(4-carbamoylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-15-9(13)4-7-12-5-2-8(3-6-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyDFORLHKMYGSLEU-UHFFFAOYSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-carbamoylpiperidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-carbamoylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-carbamoylpiperidin-1-yl)propanoate (CID 2095722) is methyl 3-(4-carbamoylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-carbamoylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-carbamoylpiperidin-1-yl)propanoate is COC(=O)CCN1CCC(C(N)=O)CC1.
What is the InChIKey of methyl 3-(4-carbamoylpiperidin-1-yl)propanoate?
The InChIKey is DFORLHKMYGSLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-9(13)4-7-12-5-2-8(3-6-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14).
What are the key properties of methyl 3-(4-carbamoylpiperidin-1-yl)propanoate?
methyl 3-(4-carbamoylpiperidin-1-yl)propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-carbamoylpiperidin-1-yl)propanoate is sourced from PubChem (CID 2095722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).