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

C19H30N4O2 — CID 19068083

IUPAC2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)13-16-1-3-18(4-2-16)23-11-7-15(8-12-23)5-9-20-17-6-10-21-22-14-17/h6,10,14-16,18H,1-5,7-9,11-13H2,(H,20,21)(H,24,25)
InChIKeySLENTDOYRXGFCT-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.02
Rot. Bonds7

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

2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 19068083) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID19068083
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)13-16-1-3-18(4-2-16)23-11-7-15(8-12-23)5-9-20-17-6-10-21-22-14-17/h6,10,14-16,18H,1-5,7-9,11-13H2,(H,20,21)(H,24,25)
InChIKeySLENTDOYRXGFCT-UHFFFAOYSA-N
XLogP3.02
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068105
2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 70340119
2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 86722948
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516067
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 126424043
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
N-ethyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (CID 19068083) is 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCC(CCNc3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is SLENTDOYRXGFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-19(25)13-16-1-3-18(4-2-16)23-11-7-15(8-12-23)5-9-20-17-6-10-21-22-14-17/h6,10,14-16,18H,1-5,7-9,11-13H2,(H,20,21)(H,24,25).
What are the key properties of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 346.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).