2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid

C16H23N3O3 — CID 122051429

IUPAC2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-2-9-19(12-14(20)21)15-13(7-6-8-17-15)16(22)18-10-4-3-5-11-18/h6-8H,2-5,9-12H2,1H3,(H,20,21)
InChIKeyXAMWVMBUZUHZMI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.01
Rot. Bonds6

About 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid

2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid (PubChem CID 122051429) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid
PubChem CID122051429
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-2-9-19(12-14(20)21)15-13(7-6-8-17-15)16(22)18-10-4-3-5-11-18/h6-8H,2-5,9-12H2,1H3,(H,20,21)
InChIKeyXAMWVMBUZUHZMI-UHFFFAOYSA-N
XLogP2.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid?
The IUPAC name of 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid (CID 122051429) is 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid is CCCN(CC(=O)O)c1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid?
The InChIKey is XAMWVMBUZUHZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-9-19(12-14(20)21)15-13(7-6-8-17-15)16(22)18-10-4-3-5-11-18/h6-8H,2-5,9-12H2,1H3,(H,20,21).
What are the key properties of 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid?
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid has a molecular weight of 305.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid is sourced from PubChem (CID 122051429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).