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

C19H30N4O3 — CID 19068101

IUPAC2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCC(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c24-18(25)13-19(26)7-1-17(2-8-19)23-11-5-15(6-12-23)3-9-20-16-4-10-21-22-14-16/h4,10,14-15,17,26H,1-3,5-9,11-13H2,(H,20,21)(H,24,25)
InChIKeyDNUZVMKKCYYOLS-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.14
Rot. Bonds7

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

2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 19068101) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID19068101
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCC(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c24-18(25)13-19(26)7-1-17(2-8-19)23-11-5-15(6-12-23)3-9-20-16-4-10-21-22-14-16/h4,10,14-15,17,26H,1-3,5-9,11-13H2,(H,20,21)(H,24,25)
InChIKeyDNUZVMKKCYYOLS-UHFFFAOYSA-N
XLogP2.14
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (CID 19068101) is 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1(O)CCC(N2CCC(CCNc3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is DNUZVMKKCYYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-18(25)13-19(26)7-1-17(2-8-19)23-11-5-15(6-12-23)3-9-20-16-4-10-21-22-14-16/h4,10,14-15,17,26H,1-3,5-9,11-13H2,(H,20,21)(H,24,25).
What are the key properties of 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).