1-(4-oxocyclohexyl)piperidine-3-carboxamide

C12H20N2O2 — CID 114761991

IUPAC1-(4-oxocyclohexyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H20N2O2/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(15)6-4-10/h9-10H,1-8H2,(H2,13,16)
InChIKeyYMHGMCIDMZTPAM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.70
Rot. Bonds2

About 1-(4-oxocyclohexyl)piperidine-3-carboxamide

1-(4-oxocyclohexyl)piperidine-3-carboxamide (PubChem CID 114761991) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-oxocyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-oxocyclohexyl)piperidine-3-carboxamide
PubChem CID114761991
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4-oxocyclohexyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H20N2O2/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(15)6-4-10/h9-10H,1-8H2,(H2,13,16)
InChIKeyYMHGMCIDMZTPAM-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxocyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-oxocyclohexyl)piperidine-3-carboxamide (CID 114761991) is 1-(4-oxocyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-oxocyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-oxocyclohexyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C2CCC(=O)CC2)C1.
What is the InChIKey of 1-(4-oxocyclohexyl)piperidine-3-carboxamide?
The InChIKey is YMHGMCIDMZTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(15)6-4-10/h9-10H,1-8H2,(H2,13,16).
What are the key properties of 1-(4-oxocyclohexyl)piperidine-3-carboxamide?
1-(4-oxocyclohexyl)piperidine-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxocyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 114761991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).