4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid

C11H14N4O2 — CID 57461715

IUPAC4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(/N=C/c2ccncn2)CC1
InChIInChI=1S/C11H14N4O2/c16-11(17)15-5-2-9(3-6-15)13-7-10-1-4-12-8-14-10/h1,4,7-9H,2-3,5-6H2,(H,16,17)/b13-7+
InChIKeyOLEVEODTASNIHG-NTUHNPAUSA-N
MW234.26 g/mol
LogP1.04
Rot. Bonds2

About 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid

4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid (PubChem CID 57461715) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid
PubChem CID57461715
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(/N=C/c2ccncn2)CC1
InChIInChI=1S/C11H14N4O2/c16-11(17)15-5-2-9(3-6-15)13-7-10-1-4-12-8-14-10/h1,4,7-9H,2-3,5-6H2,(H,16,17)/b13-7+
InChIKeyOLEVEODTASNIHG-NTUHNPAUSA-N
XLogP1.04
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone
CID 134869157
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
4-(3-pyridin-4-ylpropanoylsulfanyl)piperidine-1-carboxylic acid
CID 87195736
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155731320
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
(E)-2-(cyclohexanecarbonyl)-3-pyrimidin-4-ylprop-2-enenitrile
CID 122526131
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
CID 143481512
4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 90157530

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid (CID 57461715) is 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid is O=C(O)N1CCC(/N=C/c2ccncn2)CC1.
What is the InChIKey of 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid?
The InChIKey is OLEVEODTASNIHG-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-11(17)15-5-2-9(3-6-15)13-7-10-1-4-12-8-14-10/h1,4,7-9H,2-3,5-6H2,(H,16,17)/b13-7+.
What are the key properties of 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid?
4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 57461715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).