1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

C26H29N3O5 — CID 125423518

IUPAC1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C26H29N3O5/c30-24(31)18-9-11-27(12-10-18)25(32)28-13-15-29(16-14-28)26(33)34-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,18,23H,9-17H2,(H,30,31)
InChIKeyGJUVOJKXUPRGAY-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.47
Rot. Bonds3

About 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (PubChem CID 125423518) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
PubChem CID125423518
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C26H29N3O5/c30-24(31)18-9-11-27(12-10-18)25(32)28-13-15-29(16-14-28)26(33)34-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,18,23H,9-17H2,(H,30,31)
InChIKeyGJUVOJKXUPRGAY-UHFFFAOYSA-N
XLogP3.47
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
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-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (CID 125423518) is 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is GJUVOJKXUPRGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c30-24(31)18-9-11-27(12-10-18)25(32)28-13-15-29(16-14-28)26(33)34-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,18,23H,9-17H2,(H,30,31).
What are the key properties of 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 463.53 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 125423518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).