1-propan-2-ylpiperidine-2-carboxamide

C9H18N2O — CID 68625565

IUPAC1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyIOLAACOAFXOVCA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.73
Rot. Bonds2

About 1-propan-2-ylpiperidine-2-carboxamide

1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 68625565) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-ylpiperidine-2-carboxamide
PubChem CID68625565
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyIOLAACOAFXOVCA-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of 1-propan-2-ylpiperidine-2-carboxamide (CID 68625565) is 1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCCC1C(N)=O.
What is the InChIKey of 1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is IOLAACOAFXOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 1-propan-2-ylpiperidine-2-carboxamide?
1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 68625565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).