4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid

C12H16N4O3 — CID 121414953

IUPAC4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNC(=O)c1cc(N)cc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H16N4O3/c13-8-5-9(15-10(6-8)11(14)17)7-1-3-16(4-2-7)12(18)19/h5-7H,1-4H2,(H2,13,15)(H2,14,17)(H,18,19)
InChIKeyASUNHPCHOUAXEP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.62
Rot. Bonds2

About 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid

4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 121414953) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid
PubChem CID121414953
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNC(=O)c1cc(N)cc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H16N4O3/c13-8-5-9(15-10(6-8)11(14)17)7-1-3-16(4-2-7)12(18)19/h5-7H,1-4H2,(H2,13,15)(H2,14,17)(H,18,19)
InChIKeyASUNHPCHOUAXEP-UHFFFAOYSA-N
XLogP0.62
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
CID 18359197
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
CID 137045885
4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 170165614
4-(dimethylamino)-6-piperidin-4-ylpyridine-2-carboxamide
CID 121409150
4-(3-amino-1-methylpyrazol-4-yl)piperidine-1-carboxylic acid
CID 156503712
4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
CID 129140009
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
CID 66624899
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
4-(3-iodo-2H-indazol-5-yl)piperidine-1-carboxylic acid
CID 67981320
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid (CID 121414953) is 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid is NC(=O)c1cc(N)cc(C2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is ASUNHPCHOUAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-8-5-9(15-10(6-8)11(14)17)7-1-3-16(4-2-7)12(18)19/h5-7H,1-4H2,(H2,13,15)(H2,14,17)(H,18,19).
What are the key properties of 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid?
4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121414953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).