2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide

C20H30N4O2S — CID 56903767

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C1NCCN(CC2CCCCC2)C1CC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C20H30N4O2S/c25-19(24(16-6-7-16)14-18-21-9-11-27-18)12-17-20(26)22-8-10-23(17)13-15-4-2-1-3-5-15/h9,11,15-17H,1-8,10,12-14H2,(H,22,26)
InChIKeyGVZXQUBQXGAUNV-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.40
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 56903767) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID56903767
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C1NCCN(CC2CCCCC2)C1CC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C20H30N4O2S/c25-19(24(16-6-7-16)14-18-21-9-11-27-18)12-17-20(26)22-8-10-23(17)13-15-4-2-1-3-5-15/h9,11,15-17H,1-8,10,12-14H2,(H,22,26)
InChIKeyGVZXQUBQXGAUNV-UHFFFAOYSA-N
XLogP2.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentylcarbamoyl]-methyl}-3-cyclohexyl-N-cyclopropyl-propionamide
CID 10917579
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70682948
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70687195
Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56911946
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 118741819
Sdccgsbi-0117438.P001
CID 26412149
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 45193083
1'-(cyclopropylcarbonyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 56864888
N-cyclopropyl-1'-(1,3-thiazol-2-ylmethyl)-1,4'-bipiperidine-3-carboxamide
CID 56866421
1-Ethyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 56903767) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C1NCCN(CC2CCCCC2)C1CC(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is GVZXQUBQXGAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c25-19(24(16-6-7-16)14-18-21-9-11-27-18)12-17-20(26)22-8-10-23(17)13-15-4-2-1-3-5-15/h9,11,15-17H,1-8,10,12-14H2,(H,22,26).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 390.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 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-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 56903767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).