1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide

C12H20N2O3 — CID 104749892

IUPAC1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C12H20N2O3/c13-12(16)9-1-4-14(5-2-9)7-11(15)10-3-6-17-8-10/h9-10H,1-8H2,(H2,13,16)
InChIKeySPRNVCJBDVXKAX-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.21
Rot. Bonds4

About 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide

1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 104749892) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID104749892
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C12H20N2O3/c13-12(16)9-1-4-14(5-2-9)7-11(15)10-3-6-17-8-10/h9-10H,1-8H2,(H2,13,16)
InChIKeySPRNVCJBDVXKAX-UHFFFAOYSA-N
XLogP-0.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide (CID 104749892) is 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)C2CCOC2)CC1.
What is the InChIKey of 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is SPRNVCJBDVXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(16)9-1-4-14(5-2-9)7-11(15)10-3-6-17-8-10/h9-10H,1-8H2,(H2,13,16).
What are the key properties of 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 104749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).