2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid

C15H26N4O5 — CID 70096934

IUPAC2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid
SMILESCOC(=O)N1CCC(CCNC(=O)C2CNCCN2C(=O)O)CC1
InChIInChI=1S/C15H26N4O5/c1-24-15(23)18-7-3-11(4-8-18)2-5-17-13(20)12-10-16-6-9-19(12)14(21)22/h11-12,16H,2-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyODSVJQIDDOJCGN-UHFFFAOYSA-N
MW342.40 g/mol
LogP-0.08
Rot. Bonds4

About 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid

2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid (PubChem CID 70096934) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid
PubChem CID70096934
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid
SMILESCOC(=O)N1CCC(CCNC(=O)C2CNCCN2C(=O)O)CC1
InChIInChI=1S/C15H26N4O5/c1-24-15(23)18-7-3-11(4-8-18)2-5-17-13(20)12-10-16-6-9-19(12)14(21)22/h11-12,16H,2-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyODSVJQIDDOJCGN-UHFFFAOYSA-N
XLogP-0.08
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid?
The IUPAC name of 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid (CID 70096934) is 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid is COC(=O)N1CCC(CCNC(=O)C2CNCCN2C(=O)O)CC1.
What is the InChIKey of 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid?
The InChIKey is ODSVJQIDDOJCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-24-15(23)18-7-3-11(4-8-18)2-5-17-13(20)12-10-16-6-9-19(12)14(21)22/h11-12,16H,2-10H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid?
2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 70096934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).