1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid

C24H23N3O4 — CID 125453219

IUPAC1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)n1
InChIInChI=1S/C24H23N3O4/c28-23(29)22-11-14-27(25-22)16-9-12-26(13-10-16)24(30)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11,14,16,21H,9-10,12-13,15H2,(H,28,29)
InChIKeyKUNOPFHLIBIAHW-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.17
Rot. Bonds4

About 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid

1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid (PubChem CID 125453219) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
PubChem CID125453219
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)n1
InChIInChI=1S/C24H23N3O4/c28-23(29)22-11-14-27(25-22)16-9-12-26(13-10-16)24(30)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11,14,16,21H,9-10,12-13,15H2,(H,28,29)
InChIKeyKUNOPFHLIBIAHW-UHFFFAOYSA-N
XLogP4.17
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2756124
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
(2E,4E)-5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]penta-2,4-dienoic acid
CID 22137590
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid (CID 125453219) is 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)n1.
What is the InChIKey of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is KUNOPFHLIBIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-23(29)22-11-14-27(25-22)16-9-12-26(13-10-16)24(30)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11,14,16,21H,9-10,12-13,15H2,(H,28,29).
What are the key properties of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid?
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 417.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 125453219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).