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

C20H31N3O2 — CID 19068105

IUPAC2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c24-20(25)15-17-1-3-19(4-2-17)23-13-8-16(9-14-23)5-12-22-18-6-10-21-11-7-18/h6-7,10-11,16-17,19H,1-5,8-9,12-15H2,(H,21,22)(H,24,25)
InChIKeyXQEZWVLCPZMWHM-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.63
Rot. Bonds7

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

2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 19068105) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID19068105
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c24-20(25)15-17-1-3-19(4-2-17)23-13-8-16(9-14-23)5-12-22-18-6-10-21-11-7-18/h6-7,10-11,16-17,19H,1-5,8-9,12-15H2,(H,21,22)(H,24,25)
InChIKeyXQEZWVLCPZMWHM-UHFFFAOYSA-N
XLogP3.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid (CID 19068105) is 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCC(CCNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is XQEZWVLCPZMWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(25)15-17-1-3-19(4-2-17)23-13-8-16(9-14-23)5-12-22-18-6-10-21-11-7-18/h6-7,10-11,16-17,19H,1-5,8-9,12-15H2,(H,21,22)(H,24,25).
What are the key properties of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 345.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).