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

C19H30N4O2S — CID 25383499

IUPAC2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1
InChIInChI=1S/C19H30N4O2S/c1-14-13-26-17(21-14)12-22(2)18(24)10-16-19(25)20-8-9-23(16)11-15-6-4-3-5-7-15/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyPLDZFOAKVIUTAU-MRXNPFEDSA-N
MW378.54 g/mol
LogP2.18
Rot. Bonds6

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

2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 25383499) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID25383499
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1
InChIInChI=1S/C19H30N4O2S/c1-14-13-26-17(21-14)12-22(2)18(24)10-16-19(25)20-8-9-23(16)11-15-6-4-3-5-7-15/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyPLDZFOAKVIUTAU-MRXNPFEDSA-N
XLogP2.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 25383499) is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is PLDZFOAKVIUTAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-14-13-26-17(21-14)12-22(2)18(24)10-16-19(25)20-8-9-23(16)11-15-6-4-3-5-7-15/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 378.54 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).