ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate

C20H26N2O5 — CID 3238537

IUPACethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C20H26N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23)
InChIKeyXHTRLCPNADNBMI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.22
Rot. Bonds5

About ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate (PubChem CID 3238537) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate
PubChem CID3238537
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C20H26N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23)
InChIKeyXHTRLCPNADNBMI-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
CID 75413
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 4541416
[2-(4-Acetamidophenyl)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 24820052
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671
N-(4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3236078
Ethyl 4-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}phenylcarbamate
CID 3237182
N-(4-{[(3-isopropoxypropyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3244061

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate (CID 3238537) is ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
The InChIKey is XHTRLCPNADNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-26-20(25)15-9-11-22(12-10-15)19(24)14-5-7-16(8-6-14)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(oxolane-2-carbonylamino)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 3238537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).