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

C20H31N3O3 — CID 70340119

IUPAC2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCC(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C20H31N3O3/c24-19(25)15-20(26)8-1-18(2-9-20)23-13-6-16(7-14-23)3-12-22-17-4-10-21-11-5-17/h4-5,10-11,16,18,26H,1-3,6-9,12-15H2,(H,21,22)(H,24,25)
InChIKeyGDCVOLBVJGXBDZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.74
Rot. Bonds7

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

2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 70340119) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID70340119
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCC(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C20H31N3O3/c24-19(25)15-20(26)8-1-18(2-9-20)23-13-6-16(7-14-23)3-12-22-17-4-10-21-11-5-17/h4-5,10-11,16,18,26H,1-3,6-9,12-15H2,(H,21,22)(H,24,25)
InChIKeyGDCVOLBVJGXBDZ-UHFFFAOYSA-N
XLogP2.74
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (CID 70340119) is 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1(O)CCC(N2CCC(CCNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is GDCVOLBVJGXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-19(25)15-20(26)8-1-18(2-9-20)23-13-6-16(7-14-23)3-12-22-17-4-10-21-11-5-17/h4-5,10-11,16,18,26H,1-3,6-9,12-15H2,(H,21,22)(H,24,25).
What are the key properties of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 361.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 70340119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).