N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide

C25H41N3O2 — CID 24947800

IUPACN-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide
SMILESCCN1CCN(C(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)CC1
InChIInChI=1S/C25H41N3O2/c1-2-27-7-9-28(10-8-27)23(30)17-25(5-3-4-6-25)16-22(29)26-24-20-12-18-11-19(14-20)15-21(24)13-18/h18-21,24H,2-17H2,1H3,(H,26,29)
InChIKeyBFFIVGKOIKVGER-UHFFFAOYSA-N
MW415.62 g/mol
LogP3.43
Rot. Bonds6

About N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide

N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 24947800) has the molecular formula C25H41N3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide
PubChem CID24947800
Molecular FormulaC25H41N3O2
Molecular Weight415.62 g/mol
Exact Mass415.32
IUPAC NameN-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide
SMILESCCN1CCN(C(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)CC1
InChIInChI=1S/C25H41N3O2/c1-2-27-7-9-28(10-8-27)23(30)17-25(5-3-4-6-25)16-22(29)26-24-20-12-18-11-19(14-20)15-21(24)13-18/h18-21,24H,2-17H2,1H3,(H,26,29)
InChIKeyBFFIVGKOIKVGER-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide (CID 24947800) is N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide is CCN1CCN(C(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)CC1.
What is the InChIKey of N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is BFFIVGKOIKVGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2/c1-2-27-7-9-28(10-8-27)23(30)17-25(5-3-4-6-25)16-22(29)26-24-20-12-18-11-19(14-20)15-21(24)13-18/h18-21,24H,2-17H2,1H3,(H,26,29).
What are the key properties of N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide?
N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 415.62 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 24947800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).