methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate

C18H26N2O4 — CID 95198757

IUPACmethyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1
InChIInChI=1S/C18H26N2O4/c1-4-10-24-15-6-5-9-20(12-15)18(22)19-16-8-7-14(11-13(16)2)17(21)23-3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyCYEIUWFIQWDYAL-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.20
Rot. Bonds5

About methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate

methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate (PubChem CID 95198757) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
PubChem CID95198757
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1
InChIInChI=1S/C18H26N2O4/c1-4-10-24-15-6-5-9-20(12-15)18(22)19-16-8-7-14(11-13(16)2)17(21)23-3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyCYEIUWFIQWDYAL-OAHLLOKOSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 72902872
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
methyl 4-methyl-3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 72889185
N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
CID 72941296
methyl 4-[[(3S)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]-3-methylbenzoate
CID 125172606
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 95200625
methyl 3-chloro-4-[[3-(propoxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 72914454

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate (CID 95198757) is methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate is CCCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2C)C1.
What is the InChIKey of methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate?
The InChIKey is CYEIUWFIQWDYAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-10-24-15-6-5-9-20(12-15)18(22)19-16-8-7-14(11-13(16)2)17(21)23-3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate?
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate has a molecular weight of 334.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 95198757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).