3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid

C18H31N3O4 — CID 22611792

IUPAC3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-18(25)15-3-2-10-21(12-15)16(22)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,25)(H,23,24)
InChIKeyPOPLTANACXUDAZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.98
Rot. Bonds7

About 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid

3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 22611792) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
PubChem CID22611792
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-18(25)15-3-2-10-21(12-15)16(22)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,25)(H,23,24)
InChIKeyPOPLTANACXUDAZ-UHFFFAOYSA-N
XLogP0.98
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid (CID 22611792) is 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is POPLTANACXUDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-18(25)15-3-2-10-21(12-15)16(22)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid?
3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 353.46 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 22611792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).