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

C22H40N4O2 — CID 45174818

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCN(CCCN1CCCCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-24(12-8-15-25-13-6-3-7-14-25)21(27)17-20-22(28)23-11-16-26(20)18-19-9-4-2-5-10-19/h19-20H,2-18H2,1H3,(H,23,28)
InChIKeyKUPDWFKTUBJFRZ-UHFFFAOYSA-N
MW392.59 g/mol
LogP2.09
Rot. Bonds8

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

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 45174818) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID45174818
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCN(CCCN1CCCCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-24(12-8-15-25-13-6-3-7-14-25)21(27)17-20-22(28)23-11-16-26(20)18-19-9-4-2-5-10-19/h19-20H,2-18H2,1H3,(H,23,28)
InChIKeyKUPDWFKTUBJFRZ-UHFFFAOYSA-N
XLogP2.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide (CID 45174818) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide is CN(CCCN1CCCCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is KUPDWFKTUBJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-24(12-8-15-25-13-6-3-7-14-25)21(27)17-20-22(28)23-11-16-26(20)18-19-9-4-2-5-10-19/h19-20H,2-18H2,1H3,(H,23,28).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 392.59 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 45174818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).