ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate

C17H31N3O3 — CID 109029138

IUPACethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H31N3O3/c1-3-15-7-5-6-9-20(15)16(21)8-10-18-11-13-19(14-12-18)17(22)23-4-2/h15H,3-14H2,1-2H3
InChIKeyCKXDRIZKUGVRNW-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.94
Rot. Bonds5

About ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate

ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 109029138) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
PubChem CID109029138
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nameethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H31N3O3/c1-3-15-7-5-6-9-20(15)16(21)8-10-18-11-13-19(14-12-18)17(22)23-4-2/h15H,3-14H2,1-2H3
InChIKeyCKXDRIZKUGVRNW-UHFFFAOYSA-N
XLogP1.94
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108523558
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
CID 137321053
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate (CID 109029138) is ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)N2CCCCC2CC)CC1.
What is the InChIKey of ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is CKXDRIZKUGVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-3-15-7-5-6-9-20(15)16(21)8-10-18-11-13-19(14-12-18)17(22)23-4-2/h15H,3-14H2,1-2H3.
What are the key properties of ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate?
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 109029138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).