(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide

C17H30N4O3 — CID 94812868

IUPAC(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-3-18-17(24)19-15(22)13(2)20-9-11-21(12-10-20)16(23)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,18,19,22,24)/t13-/m0/s1
InChIKeyJSBXGFZPMYXHCX-ZDUSSCGKSA-N
MW338.45 g/mol
LogP0.95
Rot. Bonds4

About (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide

(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 94812868) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID94812868
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-3-18-17(24)19-15(22)13(2)20-9-11-21(12-10-20)16(23)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,18,19,22,24)/t13-/m0/s1
InChIKeyJSBXGFZPMYXHCX-ZDUSSCGKSA-N
XLogP0.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 52508761
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
(2S)-N-(ethylcarbamoyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 36900933
(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 36900917
N-(ethylcarbamoyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43055564
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 95269319
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 94812868) is (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is JSBXGFZPMYXHCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-3-18-17(24)19-15(22)13(2)20-9-11-21(12-10-20)16(23)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,18,19,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 94812868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).