4-(4-cyanoanilino)piperidine-1-carboxylic acid

C13H15N3O2 — CID 69182626

IUPAC4-(4-cyanoanilino)piperidine-1-carboxylic acid
SMILESN#Cc1ccc(NC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C13H15N3O2/c14-9-10-1-3-11(4-2-10)15-12-5-7-16(8-6-12)13(17)18/h1-4,12,15H,5-8H2,(H,17,18)
InChIKeyIAQJGBVHZXXACY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.11
Rot. Bonds2

About 4-(4-cyanoanilino)piperidine-1-carboxylic acid

4-(4-cyanoanilino)piperidine-1-carboxylic acid (PubChem CID 69182626) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-cyanoanilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyanoanilino)piperidine-1-carboxylic acid
PubChem CID69182626
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(4-cyanoanilino)piperidine-1-carboxylic acid
SMILESN#Cc1ccc(NC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C13H15N3O2/c14-9-10-1-3-11(4-2-10)15-12-5-7-16(8-6-12)13(17)18/h1-4,12,15H,5-8H2,(H,17,18)
InChIKeyIAQJGBVHZXXACY-UHFFFAOYSA-N
XLogP2.11
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
4-[4-[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]piperazine-1-carboxylic acid
CID 175995322
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
4-(oxan-4-ylamino)benzonitrile
CID 43608433
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
CID 67327582
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoanilino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-cyanoanilino)piperidine-1-carboxylic acid (CID 69182626) is 4-(4-cyanoanilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyanoanilino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyanoanilino)piperidine-1-carboxylic acid is N#Cc1ccc(NC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-cyanoanilino)piperidine-1-carboxylic acid?
The InChIKey is IAQJGBVHZXXACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-10-1-3-11(4-2-10)15-12-5-7-16(8-6-12)13(17)18/h1-4,12,15H,5-8H2,(H,17,18).
What are the key properties of 4-(4-cyanoanilino)piperidine-1-carboxylic acid?
4-(4-cyanoanilino)piperidine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanoanilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 69182626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).