6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid

C26H25N3O4 — CID 131423946

IUPAC6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(NC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-25(31)17-9-10-24(27-15-17)29-13-11-18(12-14-29)28-26(32)33-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,15,18,23H,11-14,16H2,(H,28,32)(H,30,31)
InChIKeyCWUQJGOXNPUAFC-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.29
Rot. Bonds5

About 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 131423946) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID131423946
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(NC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-25(31)17-9-10-24(27-15-17)29-13-11-18(12-14-29)28-26(32)33-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,15,18,23H,11-14,16H2,(H,28,32)(H,30,31)
InChIKeyCWUQJGOXNPUAFC-UHFFFAOYSA-N
XLogP4.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 131441818
4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]benzoic acid
CID 125422013
9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate
CID 122205051
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]hexanoic acid
CID 175464467
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
CID 170882100
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142
(2S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451425
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
diiodovanadium;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;9H-fluoren-9-ylmethyl N-[[1-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate;O-(oxan-2-yl)hydroxylamine;triiodovanadium;triiodide
CID 160574245

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid (CID 131423946) is 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(NC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CWUQJGOXNPUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-25(31)17-9-10-24(27-15-17)29-13-11-18(12-14-29)28-26(32)33-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,15,18,23H,11-14,16H2,(H,28,32)(H,30,31).
What are the key properties of 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 131423946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).