3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid

C14H25N3O3 — CID 19358567

IUPAC3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O3/c18-13(19)4-7-15-14(20)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyDVMZOVAXBRSOCE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds4

About 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid

3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 19358567) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID19358567
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O3/c18-13(19)4-7-15-14(20)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyDVMZOVAXBRSOCE-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid (CID 19358567) is 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DVMZOVAXBRSOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(19)4-7-15-14(20)17-10-5-12(6-11-17)16-8-2-1-3-9-16/h12H,1-11H2,(H,15,20)(H,18,19).
What are the key properties of 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 19358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).