ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate

C20H33N3O5 — CID 109146929

IUPACethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C20H33N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h15-17H,2-14H2,1H3,(H,21,24)
InChIKeyQKMBOCIDPWAZEX-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.39
Rot. Bonds5

About ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate

ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate (PubChem CID 109146929) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
PubChem CID109146929
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Nameethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C20H33N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h15-17H,2-14H2,1H3,(H,21,24)
InChIKeyQKMBOCIDPWAZEX-UHFFFAOYSA-N
XLogP1.39
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109133496
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
ethyl 4-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111539222
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95339170
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate (CID 109146929) is ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCC3CCCO3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The InChIKey is QKMBOCIDPWAZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h15-17H,2-14H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109146929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).