ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate

C16H28N4O5 — CID 108989873

IUPACethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H28N4O5/c1-3-24-15(22)19-7-5-13(6-8-19)17-14(21)18-9-11-20(12-10-18)16(23)25-4-2/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyBPNFHCUTJPOUBW-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.09
Rot. Bonds3

About ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 108989873) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID108989873
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Nameethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H28N4O5/c1-3-24-15(22)19-7-5-13(6-8-19)17-14(21)18-9-11-20(12-10-18)16(23)25-4-2/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyBPNFHCUTJPOUBW-UHFFFAOYSA-N
XLogP1.09
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
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ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
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ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-(ethylcarbamothioylamino)piperidine-1-carboxylate
CID 113218404
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate (CID 108989873) is ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)N2CCN(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is BPNFHCUTJPOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O5/c1-3-24-15(22)19-7-5-13(6-8-19)17-14(21)18-9-11-20(12-10-18)16(23)25-4-2/h13H,3-12H2,1-2H3,(H,17,21).
What are the key properties of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108989873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).