4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C17H25N3O2 — CID 122030522

IUPAC4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(N3CCCCC3)cn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22)13-4-6-14(7-5-13)19-16-9-8-15(12-18-16)20-10-2-1-3-11-20/h8-9,12-14H,1-7,10-11H2,(H,18,19)(H,21,22)
InChIKeyYABWFKUYUBFGKK-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.13
Rot. Bonds4

About 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122030522) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122030522
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(N3CCCCC3)cn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22)13-4-6-14(7-5-13)19-16-9-8-15(12-18-16)20-10-2-1-3-11-20/h8-9,12-14H,1-7,10-11H2,(H,18,19)(H,21,22)
InChIKeyYABWFKUYUBFGKK-UHFFFAOYSA-N
XLogP3.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 122030522) is 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(N3CCCCC3)cn2)CC1.
What is the InChIKey of 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YABWFKUYUBFGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(22)13-4-6-14(7-5-13)19-16-9-8-15(12-18-16)20-10-2-1-3-11-20/h8-9,12-14H,1-7,10-11H2,(H,18,19)(H,21,22).
What are the key properties of 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).