ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate

C18H26N2O3 — CID 109014620

IUPACethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)15-6-4-5-7-16(15)19-17(21)10-13-20-11-8-14(2)9-12-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyGMGHCGGWBCUMFN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds6

About ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate

ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate (PubChem CID 109014620) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
PubChem CID109014620
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)15-6-4-5-7-16(15)19-17(21)10-13-20-11-8-14(2)9-12-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyGMGHCGGWBCUMFN-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
methyl 2-[3-(4-acetylpiperazin-1-yl)propanoylamino]benzoate
CID 109018375
ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate
CID 2384875
ethyl 2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930711
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate (CID 109014620) is ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCN1CCC(C)CC1.
What is the InChIKey of ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate?
The InChIKey is GMGHCGGWBCUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-18(22)15-6-4-5-7-16(15)19-17(21)10-13-20-11-8-14(2)9-12-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate?
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate has a molecular weight of 318.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate is sourced from PubChem (CID 109014620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).