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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Related Compounds

2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95724432
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56887934
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56915849
N-methyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 45185862
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 124754979
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45183443
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154922617
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 26331261
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 95722212
N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
CID 42217294
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 45228911

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).