methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate

C19H26N2O5 — CID 70780826

IUPACmethyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C19H26N2O5/c1-25-19(24)14-7-13(8-15(9-14)26-11-12-3-2-4-12)18(23)21-16-10-20-6-5-17(16)22/h7-9,12,16-17,20,22H,2-6,10-11H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyKJOYXXIHQJUPLN-IAGOWNOFSA-N
MW362.43 g/mol
LogP1.10
Rot. Bonds6

About methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate

methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate (PubChem CID 70780826) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate
PubChem CID70780826
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C19H26N2O5/c1-25-19(24)14-7-13(8-15(9-14)26-11-12-3-2-4-12)18(23)21-16-10-20-6-5-17(16)22/h7-9,12,16-17,20,22H,2-6,10-11H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyKJOYXXIHQJUPLN-IAGOWNOFSA-N
XLogP1.10
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate with MolForge

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Related Compounds

dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442
methyl 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(cyclobutylmethoxy)benzoate
CID 70784227
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
methyl 3-(cyclobutylmethoxy)-5-(thiomorpholine-4-carbonyl)benzoate
CID 70757141
methyl 3-(cyclobutylmethoxy)-5-(1,4-dioxan-2-ylmethylcarbamoyl)benzoate
CID 70733252
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
methyl 3-(cyclobutylmethoxy)-5-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]benzoate
CID 70758967
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
N-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
methyl 3-[4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoyl]phenyl]benzoate
CID 119070407
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate (CID 70780826) is methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate is COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2CNCC[C@H]2O)c1.
What is the InChIKey of methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate?
The InChIKey is KJOYXXIHQJUPLN-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-19(24)14-7-13(8-15(9-14)26-11-12-3-2-4-12)18(23)21-16-10-20-6-5-17(16)22/h7-9,12,16-17,20,22H,2-6,10-11H2,1H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate?
methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 70780826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).