1-(3-oxobutyl)piperidine-2-carboxamide

C10H18N2O2 — CID 60670304

IUPAC1-(3-oxobutyl)piperidine-2-carboxamide
SMILESCC(=O)CCN1CCCCC1C(N)=O
InChIInChI=1S/C10H18N2O2/c1-8(13)5-7-12-6-3-2-4-9(12)10(11)14/h9H,2-7H2,1H3,(H2,11,14)
InChIKeyZUFWTGRXWHKITH-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds4

About 1-(3-oxobutyl)piperidine-2-carboxamide

1-(3-oxobutyl)piperidine-2-carboxamide (PubChem CID 60670304) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3-oxobutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-oxobutyl)piperidine-2-carboxamide
PubChem CID60670304
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(3-oxobutyl)piperidine-2-carboxamide
SMILESCC(=O)CCN1CCCCC1C(N)=O
InChIInChI=1S/C10H18N2O2/c1-8(13)5-7-12-6-3-2-4-9(12)10(11)14/h9H,2-7H2,1H3,(H2,11,14)
InChIKeyZUFWTGRXWHKITH-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxobutyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-oxobutyl)piperidine-2-carboxamide (CID 60670304) is 1-(3-oxobutyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-oxobutyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-oxobutyl)piperidine-2-carboxamide is CC(=O)CCN1CCCCC1C(N)=O.
What is the InChIKey of 1-(3-oxobutyl)piperidine-2-carboxamide?
The InChIKey is ZUFWTGRXWHKITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)5-7-12-6-3-2-4-9(12)10(11)14/h9H,2-7H2,1H3,(H2,11,14).
What are the key properties of 1-(3-oxobutyl)piperidine-2-carboxamide?
1-(3-oxobutyl)piperidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxobutyl)piperidine-2-carboxamide is sourced from PubChem (CID 60670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).