2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

C20H34N6O2 — CID 56887934

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C20H34N6O2/c1-15(2)26-14-22-23-18(26)13-24(3)19(27)11-17-20(28)21-9-10-25(17)12-16-7-5-4-6-8-16/h14-17H,4-13H2,1-3H3,(H,21,28)
InChIKeyJLXIZMUXCYYNPN-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.59
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56887934) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56887934
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C20H34N6O2/c1-15(2)26-14-22-23-18(26)13-24(3)19(27)11-17-20(28)21-9-10-25(17)12-16-7-5-4-6-8-16/h14-17H,4-13H2,1-3H3,(H,21,28)
InChIKeyJLXIZMUXCYYNPN-UHFFFAOYSA-N
XLogP1.59
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56887934) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is CC(C)n1cnnc1CN(C)C(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is JLXIZMUXCYYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-15(2)26-14-22-23-18(26)13-24(3)19(27)11-17-20(28)21-9-10-25(17)12-16-7-5-4-6-8-16/h14-17H,4-13H2,1-3H3,(H,21,28).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56887934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).