N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H31N3O — CID 80548807

IUPACN-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-13-5-7-14(8-6-13)18-15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyOQINBFLWXBNGJS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds4

About N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548807) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548807
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-13-5-7-14(8-6-13)18-15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyOQINBFLWXBNGJS-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548807) is N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is CCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is OQINBFLWXBNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-13-5-7-14(8-6-13)18-15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).