(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate

C46H52N2O4 — CID 163687677

IUPAC(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate
SMILESCCCc1ccc2c(c1)-c1ccccc1C2COC(=O)N1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C46H52N2O4/c1-2-10-34-19-20-41-42(29-34)37-15-5-8-18-40(37)44(41)31-52-46(50)48-27-23-33(24-28-48)12-9-11-32-21-25-47(26-22-32)45(49)51-30-43-38-16-6-3-13-35(38)36-14-4-7-17-39(36)43/h3-8,13-20,29,32-33,43-44H,2,9-12,21-28,30-31H2,1H3
InChIKeyJQGGLOASQZUPOO-UHFFFAOYSA-N
MW696.93 g/mol
LogP10.43
Rot. Bonds10

About (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate

(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate (PubChem CID 163687677) has the molecular formula C46H52N2O4 and a molecular weight of 696.93 g/mol. Its IUPAC name is (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate
PubChem CID163687677
Molecular FormulaC46H52N2O4
Molecular Weight696.93 g/mol
Exact Mass696.39
IUPAC Name(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate
SMILESCCCc1ccc2c(c1)-c1ccccc1C2COC(=O)N1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C46H52N2O4/c1-2-10-34-19-20-41-42(29-34)37-15-5-8-18-40(37)44(41)31-52-46(50)48-27-23-33(24-28-48)12-9-11-32-21-25-47(26-22-32)45(49)51-30-43-38-16-6-3-13-35(38)36-14-4-7-17-39(36)43/h3-8,13-20,29,32-33,43-44H,2,9-12,21-28,30-31H2,1H3
InChIKeyJQGGLOASQZUPOO-UHFFFAOYSA-N
XLogP10.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.93
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 139393952
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
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-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
CID 147927240
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965

Frequently Asked Questions

What is the IUPAC name of (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate (CID 163687677) is (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate is CCCc1ccc2c(c1)-c1ccccc1C2COC(=O)N1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1.
What is the InChIKey of (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate?
The InChIKey is JQGGLOASQZUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52N2O4/c1-2-10-34-19-20-41-42(29-34)37-15-5-8-18-40(37)44(41)31-52-46(50)48-27-23-33(24-28-48)12-9-11-32-21-25-47(26-22-32)45(49)51-30-43-38-16-6-3-13-35(38)36-14-4-7-17-39(36)43/h3-8,13-20,29,32-33,43-44H,2,9-12,21-28,30-31H2,1H3.
What are the key properties of (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate?
(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate has a molecular weight of 696.93 g/mol, XLogP of 10.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 163687677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).