ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate

C18H26N2O3 — CID 24554705

IUPACethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)20-12-10-16(11-13-20)19-17(21)9-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyFILCGNFAHBVUPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.66
Rot. Bonds5

About ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 24554705) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
PubChem CID24554705
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)20-12-10-16(11-13-20)19-17(21)9-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyFILCGNFAHBVUPJ-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
CID 86866312
ethyl 4-[[N'-[2-(4-methylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111814089
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate (CID 24554705) is ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is FILCGNFAHBVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-18(22)20-12-10-16(11-13-20)19-17(21)9-8-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 24554705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).