ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate

C19H27N3O4 — CID 113105636

IUPACethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H27N3O4/c1-2-25-18(23)16-7-3-4-8-17(16)21-9-11-22(12-10-21)19(24)20-14-15-6-5-13-26-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,24)
InChIKeyMFYUUDLXUWQLJG-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate

ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate (PubChem CID 113105636) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
PubChem CID113105636
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nameethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H27N3O4/c1-2-25-18(23)16-7-3-4-8-17(16)21-9-11-22(12-10-21)19(24)20-14-15-6-5-13-26-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,24)
InChIKeyMFYUUDLXUWQLJG-UHFFFAOYSA-N
XLogP1.87
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038581
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93324275
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
ethyl 2-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111099
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate (CID 113105636) is ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate?
The InChIKey is MFYUUDLXUWQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-25-18(23)16-7-3-4-8-17(16)21-9-11-22(12-10-21)19(24)20-14-15-6-5-13-26-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate?
ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate has a molecular weight of 361.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113105636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).