2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid

C18H27N3O2 — CID 15839385

IUPAC2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(Nc3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(23)13-14-1-3-17(4-2-14)21-11-7-16(8-12-21)20-15-5-9-19-10-6-15/h5-6,9-10,14,16-17H,1-4,7-8,11-13H2,(H,19,20)(H,22,23)
InChIKeyNHGIFAOCUJZYRX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid

2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 15839385) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID15839385
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(Nc3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c22-18(23)13-14-1-3-17(4-2-14)21-11-7-16(8-12-21)20-15-5-9-19-10-6-15/h5-6,9-10,14,16-17H,1-4,7-8,11-13H2,(H,19,20)(H,22,23)
InChIKeyNHGIFAOCUJZYRX-UHFFFAOYSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid (CID 15839385) is 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCC(Nc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is NHGIFAOCUJZYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(23)13-14-1-3-17(4-2-14)21-11-7-16(8-12-21)20-15-5-9-19-10-6-15/h5-6,9-10,14,16-17H,1-4,7-8,11-13H2,(H,19,20)(H,22,23).
What are the key properties of 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 317.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 15839385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).