1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid

C15H25N3O5 — CID 127565071

IUPAC1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)N1CCC(NC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H25N3O5/c1-2-23-15(22)18-9-5-12(6-10-18)16-14(21)17-7-3-11(4-8-17)13(19)20/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyXFNHIVRNTVNMNO-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.11
Rot. Bonds3

About 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid

1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 127565071) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID127565071
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)N1CCC(NC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H25N3O5/c1-2-23-15(22)18-9-5-12(6-10-18)16-14(21)17-7-3-11(4-8-17)13(19)20/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyXFNHIVRNTVNMNO-UHFFFAOYSA-N
XLogP1.11
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid (CID 127565071) is 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid is CCOC(=O)N1CCC(NC(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XFNHIVRNTVNMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-2-23-15(22)18-9-5-12(6-10-18)16-14(21)17-7-3-11(4-8-17)13(19)20/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 127565071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).