ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate

C19H25N3O5 — CID 27161050

IUPACethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H25N3O5/c1-2-26-19(25)22-11-9-21(10-12-22)18(24)14-6-3-4-7-15(14)20-17(23)16-8-5-13-27-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyGXILAQJUCIWLIZ-INIZCTEOSA-N
MW375.43 g/mol
LogP1.72
Rot. Bonds4

About ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate (PubChem CID 27161050) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
PubChem CID27161050
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nameethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H25N3O5/c1-2-26-19(25)22-11-9-21(10-12-22)18(24)14-6-3-4-7-15(14)20-17(23)16-8-5-13-27-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyGXILAQJUCIWLIZ-INIZCTEOSA-N
XLogP1.72
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
ethyl [4-[[2-(oxolane-2-carbonylamino)phenyl]carbamoyl]phenyl] carbonate
CID 108931010
ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311490
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299
ethyl 4-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate (CID 27161050) is ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is GXILAQJUCIWLIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-2-26-19(25)22-11-9-21(10-12-22)18(24)14-6-3-4-7-15(14)20-17(23)16-8-5-13-27-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 27161050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).