N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide

C18H35N3O2 — CID 111446390

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN1CCN(CC(C)CNC(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-3-20-9-11-21(12-10-20)15-16(2)14-19-17(22)13-18(23)7-5-4-6-8-18/h16,23H,3-15H2,1-2H3,(H,19,22)
InChIKeyDBFBBGNGOBWNCN-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.46
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111446390) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111446390
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN1CCN(CC(C)CNC(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-3-20-9-11-21(12-10-20)15-16(2)14-19-17(22)13-18(23)7-5-4-6-8-18/h16,23H,3-15H2,1-2H3,(H,19,22)
InChIKeyDBFBBGNGOBWNCN-UHFFFAOYSA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119902544
2-(1-hydroxycyclopentyl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 111430549
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430633
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537146
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111446390) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide is CCN1CCN(CC(C)CNC(=O)CC2(O)CCCCC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is DBFBBGNGOBWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-20-9-11-21(12-10-20)15-16(2)14-19-17(22)13-18(23)7-5-4-6-8-18/h16,23H,3-15H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111446390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).