N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide

C23H40N4O2 — CID 57443186

IUPACN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C23H40N4O2/c28-22(17-19-5-2-1-3-6-19)24-20-9-11-25(12-10-20)18-23(29)27-15-13-26(14-16-27)21-7-4-8-21/h19-21H,1-18H2,(H,24,28)
InChIKeyFNAWTBALBGBBHJ-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.23
Rot. Bonds6

About N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide

N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide (PubChem CID 57443186) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide
PubChem CID57443186
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC NameN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C23H40N4O2/c28-22(17-19-5-2-1-3-6-19)24-20-9-11-25(12-10-20)18-23(29)27-15-13-26(14-16-27)21-7-4-8-21/h19-21H,1-18H2,(H,24,28)
InChIKeyFNAWTBALBGBBHJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 57443202
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
2-cyclopentyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 122157562
2-cyclopentyl-N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]acetamide
CID 111538308
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
N-(1-cyclohexylpiperidin-4-yl)-2-(methylamino)acetamide
CID 120704864
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-4-methylsulfanylbenzamide
CID 57443212

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide (CID 57443186) is N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide?
The InChIKey is FNAWTBALBGBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c28-22(17-19-5-2-1-3-6-19)24-20-9-11-25(12-10-20)18-23(29)27-15-13-26(14-16-27)21-7-4-8-21/h19-21H,1-18H2,(H,24,28).
What are the key properties of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide?
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide has a molecular weight of 404.60 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 57443186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).