N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide

C18H35N3O — CID 58786511

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H35N3O/c1-15(2)13-21(16(3)22)14-18(17-7-5-4-6-8-17)20-11-9-19-10-12-20/h15,17-19H,4-14H2,1-3H3
InChIKeyNOEOWJBIOZFEJP-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.35
Rot. Bonds6

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide (PubChem CID 58786511) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide
PubChem CID58786511
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H35N3O/c1-15(2)13-21(16(3)22)14-18(17-7-5-4-6-8-17)20-11-9-19-10-12-20/h15,17-19H,4-14H2,1-3H3
InChIKeyNOEOWJBIOZFEJP-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide (CID 58786511) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide is CC(=O)N(CC(C)C)CC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is NOEOWJBIOZFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-15(2)13-21(16(3)22)14-18(17-7-5-4-6-8-17)20-11-9-19-10-12-20/h15,17-19H,4-14H2,1-3H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 309.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 58786511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).