1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid

C14H20N4O3 — CID 39187771

IUPAC1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESNCCC(=O)Nc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H20N4O3/c15-6-3-13(19)17-12-2-1-11(9-16-12)18-7-4-10(5-8-18)14(20)21/h1-2,9-10H,3-8,15H2,(H,20,21)(H,16,17,19)
InChIKeyVLHKJVQHGOKDKO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.67
Rot. Bonds5

About 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid

1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 39187771) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
PubChem CID39187771
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESNCCC(=O)Nc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H20N4O3/c15-6-3-13(19)17-12-2-1-11(9-16-12)18-7-4-10(5-8-18)14(20)21/h1-2,9-10H,3-8,15H2,(H,20,21)(H,16,17,19)
InChIKeyVLHKJVQHGOKDKO-UHFFFAOYSA-N
XLogP0.67
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 82034862
4-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]butanamide
CID 82034911
1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 144878454
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
2-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]acetamide;trihydrochloride
CID 119903679
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
CID 118212046
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
CID 134406007
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid (CID 39187771) is 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid is NCCC(=O)Nc1ccc(N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is VLHKJVQHGOKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-6-3-13(19)17-12-2-1-11(9-16-12)18-7-4-10(5-8-18)14(20)21/h1-2,9-10H,3-8,15H2,(H,20,21)(H,16,17,19).
What are the key properties of 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid?
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 39187771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).