3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

C21H34N4O — CID 55744205

IUPAC3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCC3CCCCC3)cn2)CC1
InChIInChI=1S/C21H34N4O/c1-2-24-12-14-25(15-13-24)20-10-8-19(16-22-20)17-23-21(26)11-9-18-6-4-3-5-7-18/h8,10,16,18H,2-7,9,11-15,17H2,1H3,(H,23,26)
InChIKeyYHAGDBAKYZIGRK-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.20
Rot. Bonds7

About 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55744205) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55744205
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCC3CCCCC3)cn2)CC1
InChIInChI=1S/C21H34N4O/c1-2-24-12-14-25(15-13-24)20-10-8-19(16-22-20)17-23-21(26)11-9-18-6-4-3-5-7-18/h8,10,16,18H,2-7,9,11-15,17H2,1H3,(H,23,26)
InChIKeyYHAGDBAKYZIGRK-UHFFFAOYSA-N
XLogP3.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
3-[[benzyl(methyl)carbamoyl]amino]-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 56540050
N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55735754
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801593
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55735627
1-(2-cycloheptyloxyethyl)-3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111576404

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (CID 55744205) is 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is CCN1CCN(c2ccc(CNC(=O)CCC3CCCCC3)cn2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is YHAGDBAKYZIGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-24-12-14-25(15-13-24)20-10-8-19(16-22-20)17-23-21(26)11-9-18-6-4-3-5-7-18/h8,10,16,18H,2-7,9,11-15,17H2,1H3,(H,23,26).
What are the key properties of 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 358.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55744205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).