methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate

C20H26N2O4 — CID 24819237

IUPACmethyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H26N2O4/c1-26-20(25)17-5-3-2-4-16(17)19(24)22-12-10-14(11-13-22)6-9-18(23)21-15-7-8-15/h2-5,14-15H,6-13H2,1H3,(H,21,23)
InChIKeyNPMUFPOOWFHCGJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.38
Rot. Bonds6

About methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate

methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate (PubChem CID 24819237) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate
PubChem CID24819237
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H26N2O4/c1-26-20(25)17-5-3-2-4-16(17)19(24)22-12-10-14(11-13-22)6-9-18(23)21-15-7-8-15/h2-5,14-15H,6-13H2,1H3,(H,21,23)
InChIKeyNPMUFPOOWFHCGJ-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate (CID 24819237) is methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate is COC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate?
The InChIKey is NPMUFPOOWFHCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-26-20(25)17-5-3-2-4-16(17)19(24)22-12-10-14(11-13-22)6-9-18(23)21-15-7-8-15/h2-5,14-15H,6-13H2,1H3,(H,21,23).
What are the key properties of methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate?
methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate has a molecular weight of 358.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 24819237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).