methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate

C20H26N2O5 — CID 113007963

IUPACmethyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H26N2O5/c1-26-20(25)16-4-2-3-5-17(16)21-18(23)14-6-10-22(11-7-14)19(24)15-8-12-27-13-9-15/h2-5,14-15H,6-13H2,1H3,(H,21,23)
InChIKeyJJZZPNMWNGHHLH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113007963) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113007963
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namemethyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H26N2O5/c1-26-20(25)16-4-2-3-5-17(16)21-18(23)14-6-10-22(11-7-14)19(24)15-8-12-27-13-9-15/h2-5,14-15H,6-13H2,1H3,(H,21,23)
InChIKeyJJZZPNMWNGHHLH-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113007945
methyl 2-[[1-(3-chlorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 1330917
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
methyl 2-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919896
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
methyl 2-[[1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 22521635

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate (CID 113007963) is methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is JJZZPNMWNGHHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-26-20(25)16-4-2-3-5-17(16)21-18(23)14-6-10-22(11-7-14)19(24)15-8-12-27-13-9-15/h2-5,14-15H,6-13H2,1H3,(H,21,23).
What are the key properties of methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 374.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113007963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).