ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate

C14H24N4O3 — CID 75483425

IUPACethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CC)c2noc(C)n2)CC1
InChIInChI=1S/C14H24N4O3/c1-4-12(13-15-10(3)21-17-13)16-11-6-8-18(9-7-11)14(19)20-5-2/h11-12,16H,4-9H2,1-3H3
InChIKeyKFCRLFIDRRTASC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.04
Rot. Bonds5

About ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate

ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate (PubChem CID 75483425) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate
PubChem CID75483425
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CC)c2noc(C)n2)CC1
InChIInChI=1S/C14H24N4O3/c1-4-12(13-15-10(3)21-17-13)16-11-6-8-18(9-7-11)14(19)20-5-2/h11-12,16H,4-9H2,1-3H3
InChIKeyKFCRLFIDRRTASC-UHFFFAOYSA-N
XLogP2.04
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-(1-cyanopropan-2-ylamino)piperidine-1-carboxylate
CID 60913967
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate (CID 75483425) is ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(CC)c2noc(C)n2)CC1.
What is the InChIKey of ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate?
The InChIKey is KFCRLFIDRRTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-12(13-15-10(3)21-17-13)16-11-6-8-18(9-7-11)14(19)20-5-2/h11-12,16H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate?
ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate is sourced from PubChem (CID 75483425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).