N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide

C17H31N3O2 — CID 46381869

IUPACN-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide
SMILESCCC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-16(21)18-11-8-14-9-12-20(13-10-14)17(22)19-15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyXGEZWWHVSRIASC-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds5

About N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381869) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381869
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide
SMILESCCC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-16(21)18-11-8-14-9-12-20(13-10-14)17(22)19-15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyXGEZWWHVSRIASC-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide (CID 46381869) is N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide is CCC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is XGEZWWHVSRIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-16(21)18-11-8-14-9-12-20(13-10-14)17(22)19-15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(propanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).