2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid

C23H33N3O4 — CID 157239043

IUPAC2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(O)(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
InChIInChI=1S/C23H33N3O4/c27-21(28)16-25-13-9-23(30,10-14-25)22(29)26-11-7-17(8-12-26)15-19-6-5-18-3-1-2-4-20(18)24-19/h5-6,17,30H,1-4,7-16H2,(H,27,28)
InChIKeyKVGLYUULLLFDDS-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid

2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (PubChem CID 157239043) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
PubChem CID157239043
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(O)(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
InChIInChI=1S/C23H33N3O4/c27-21(28)16-25-13-9-23(30,10-14-25)22(29)26-11-7-17(8-12-26)15-19-6-5-18-3-1-2-4-20(18)24-19/h5-6,17,30H,1-4,7-16H2,(H,27,28)
InChIKeyKVGLYUULLLFDDS-UHFFFAOYSA-N
XLogP1.65
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid (CID 157239043) is 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(O)(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.
What is the InChIKey of 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
The InChIKey is KVGLYUULLLFDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c27-21(28)16-25-13-9-23(30,10-14-25)22(29)26-11-7-17(8-12-26)15-19-6-5-18-3-1-2-4-20(18)24-19/h5-6,17,30H,1-4,7-16H2,(H,27,28).
What are the key properties of 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid?
2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid has a molecular weight of 415.53 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 157239043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).