2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide

C21H38N4O3 — CID 45221880

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1CC1CCCCC1)NCC1CCN(CCO)CC1
InChIInChI=1S/C21H38N4O3/c26-13-12-24-9-6-17(7-10-24)15-23-20(27)14-19-21(28)22-8-11-25(19)16-18-4-2-1-3-5-18/h17-19,26H,1-16H2,(H,22,28)(H,23,27)
InChIKeyRHGPPPUUBBAKDA-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.58
Rot. Bonds8

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 45221880) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide
PubChem CID45221880
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1CC1CCCCC1)NCC1CCN(CCO)CC1
InChIInChI=1S/C21H38N4O3/c26-13-12-24-9-6-17(7-10-24)15-23-20(27)14-19-21(28)22-8-11-25(19)16-18-4-2-1-3-5-18/h17-19,26H,1-16H2,(H,22,28)(H,23,27)
InChIKeyRHGPPPUUBBAKDA-UHFFFAOYSA-N
XLogP0.58
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide (CID 45221880) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide is O=C(CC1C(=O)NCCN1CC1CCCCC1)NCC1CCN(CCO)CC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is RHGPPPUUBBAKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c26-13-12-24-9-6-17(7-10-24)15-23-20(27)14-19-21(28)22-8-11-25(19)16-18-4-2-1-3-5-18/h17-19,26H,1-16H2,(H,22,28)(H,23,27).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 45221880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).