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

C24H23N3O4 — CID 131453126

IUPAC1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1
InChIInChI=1S/C24H23N3O4/c28-23(29)16-12-25-27(13-16)17-6-5-11-26(14-17)24(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,17,22H,5-6,11,14-15H2,(H,28,29)
InChIKeyZPSYNRLJRRDQCX-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.17
Rot. Bonds4

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

1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 131453126) 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-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID131453126
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1
InChIInChI=1S/C24H23N3O4/c28-23(29)16-12-25-27(13-16)17-6-5-11-26(14-17)24(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,17,22H,5-6,11,14-15H2,(H,28,29)
InChIKeyZPSYNRLJRRDQCX-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

4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
9H-fluoren-9-ylmethyl (3R)-3-(cyclopropylamino)piperidine-1-carboxylate
CID 170555045
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
1-[1-(4-benzyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166304225
6-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 131441818
1-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252988
1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 86814563
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 75514798
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2756124

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid (CID 131453126) is 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1.
What is the InChIKey of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is ZPSYNRLJRRDQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-23(29)16-12-25-27(13-16)17-6-5-11-26(14-17)24(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,17,22H,5-6,11,14-15H2,(H,28,29).
What are the key properties of 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-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-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 131453126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).