6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid

C19H28N4O4 — CID 71522268

IUPAC6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)O)cn3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-14(2)21-9-11-23(12-10-21)19(26)27-16-5-7-22(8-6-16)17-4-3-15(13-20-17)18(24)25/h3-4,13-14,16H,5-12H2,1-2H3,(H,24,25)
InChIKeySGGLTMYBZDVQFU-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.91
Rot. Bonds4

About 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid

6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 71522268) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID71522268
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)O)cn3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-14(2)21-9-11-23(12-10-21)19(26)27-16-5-7-22(8-6-16)17-4-3-15(13-20-17)18(24)25/h3-4,13-14,16H,5-12H2,1-2H3,(H,24,25)
InChIKeySGGLTMYBZDVQFU-UHFFFAOYSA-N
XLogP1.91
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid (CID 71522268) is 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(=O)O)cn3)CC2)CC1.
What is the InChIKey of 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is SGGLTMYBZDVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-14(2)21-9-11-23(12-10-21)19(26)27-16-5-7-22(8-6-16)17-4-3-15(13-20-17)18(24)25/h3-4,13-14,16H,5-12H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 71522268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).