ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate

C15H26N4O4 — CID 58635529

IUPACethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CNCCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H26N4O4/c1-2-23-14(21)12-10-17-5-8-19(12)13(20)9-11-3-6-18(7-4-11)15(16)22/h11-12,17H,2-10H2,1H3,(H2,16,22)/t12-/m1/s1
InChIKeyXYPSRFDTOFEDEG-GFCCVEGCSA-N
MW326.40 g/mol
LogP-0.47
Rot. Bonds4

About ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate

ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate (PubChem CID 58635529) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate
PubChem CID58635529
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nameethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CNCCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H26N4O4/c1-2-23-14(21)12-10-17-5-8-19(12)13(20)9-11-3-6-18(7-4-11)15(16)22/h11-12,17H,2-10H2,1H3,(H2,16,22)/t12-/m1/s1
InChIKeyXYPSRFDTOFEDEG-GFCCVEGCSA-N
XLogP-0.47
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate (CID 58635529) is ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate is CCOC(=O)[C@H]1CNCCN1C(=O)CC1CCN(C(N)=O)CC1.
What is the InChIKey of ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate?
The InChIKey is XYPSRFDTOFEDEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-2-23-14(21)12-10-17-5-8-19(12)13(20)9-11-3-6-18(7-4-11)15(16)22/h11-12,17H,2-10H2,1H3,(H2,16,22)/t12-/m1/s1.
What are the key properties of ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate?
ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[2-(1-carbamoylpiperidin-4-yl)acetyl]piperazine-2-carboxylate is sourced from PubChem (CID 58635529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).