N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide

C17H33N3O — CID 35579847

IUPACN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCCN1CCN(C2(CNC(=O)C(C)C)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-19-10-12-20(13-11-19)17(8-6-5-7-9-17)14-18-16(21)15(2)3/h15H,4-14H2,1-3H3,(H,18,21)
InChIKeyRTCWOMQHKUEXBH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds5

About N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide

N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide (PubChem CID 35579847) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide
PubChem CID35579847
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCCN1CCN(C2(CNC(=O)C(C)C)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-19-10-12-20(13-11-19)17(8-6-5-7-9-17)14-18-16(21)15(2)3/h15H,4-14H2,1-3H3,(H,18,21)
InChIKeyRTCWOMQHKUEXBH-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide (CID 35579847) is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide is CCN1CCN(C2(CNC(=O)C(C)C)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is RTCWOMQHKUEXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19-10-12-20(13-11-19)17(8-6-5-7-9-17)14-18-16(21)15(2)3/h15H,4-14H2,1-3H3,(H,18,21).
What are the key properties of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide?
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 35579847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).