1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid

C18H30N4O4 — CID 67578136

IUPAC1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1
InChIInChI=1S/C18H30N4O4/c23-16(20-9-4-15(5-10-20)17(24)25)13-22-12-11-21(18(22)26)8-3-14-1-6-19-7-2-14/h14-15,19H,1-13H2,(H,24,25)
InChIKeyKYWQBKZKUABGFD-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.44
Rot. Bonds6

About 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 67578136) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID67578136
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1
InChIInChI=1S/C18H30N4O4/c23-16(20-9-4-15(5-10-20)17(24)25)13-22-12-11-21(18(22)26)8-3-14-1-6-19-7-2-14/h14-15,19H,1-13H2,(H,24,25)
InChIKeyKYWQBKZKUABGFD-UHFFFAOYSA-N
XLogP0.44
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid (CID 67578136) is 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1.
What is the InChIKey of 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is KYWQBKZKUABGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c23-16(20-9-4-15(5-10-20)17(24)25)13-22-12-11-21(18(22)26)8-3-14-1-6-19-7-2-14/h14-15,19H,1-13H2,(H,24,25).
What are the key properties of 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).