3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate

C12H22N2O3 — CID 70824820

IUPAC3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OCCCN1CCCCC1=O
InChIInChI=1S/C12H22N2O3/c1-13-7-6-12(16)17-10-4-9-14-8-3-2-5-11(14)15/h13H,2-10H2,1H3
InChIKeyWNYISVMIKRQVOQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds7

About 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate

3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate (PubChem CID 70824820) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
PubChem CID70824820
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OCCCN1CCCCC1=O
InChIInChI=1S/C12H22N2O3/c1-13-7-6-12(16)17-10-4-9-14-8-3-2-5-11(14)15/h13H,2-10H2,1H3
InChIKeyWNYISVMIKRQVOQ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
CID 169185862

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate?
The IUPAC name of 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate (CID 70824820) is 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate is CNCCC(=O)OCCCN1CCCCC1=O.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate?
The InChIKey is WNYISVMIKRQVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-7-6-12(16)17-10-4-9-14-8-3-2-5-11(14)15/h13H,2-10H2,1H3.
What are the key properties of 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate?
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate is sourced from PubChem (CID 70824820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).