9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate

C24H28N2O4 — CID 118385571

IUPAC9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESO=C(NCCC(=O)N1CCC(CO)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O4/c27-15-17-10-13-26(14-11-17)23(28)9-12-25-24(29)30-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22,27H,9-16H2,(H,25,29)
InChIKeyBORDZSUBHWEROK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.15
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 118385571) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID118385571
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESO=C(NCCC(=O)N1CCC(CO)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O4/c27-15-17-10-13-26(14-11-17)23(28)9-12-25-24(29)30-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22,27H,9-16H2,(H,25,29)
InChIKeyBORDZSUBHWEROK-UHFFFAOYSA-N
XLogP3.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate with MolForge

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Related Compounds

6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630
Fmoc-Val-Phe-ol
CID 42632251
Fmoc-Val-D-Phe-ol
CID 42632372
FMOC-L-asparagine
CID 2724774
1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid
CID 2736490
1-((tert-butoxy)carbonyl)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)piperidine-4-carboxylic acid
CID 2734399
Fmoc-D-Asn-OH
CID 6992524
8-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)octanoic acid
CID 2756091
N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol
CID 2736488
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
CID 2756086
5-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)pentanoic acid
CID 2756098

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate (CID 118385571) is 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate is O=C(NCCC(=O)N1CCC(CO)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is BORDZSUBHWEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-15-17-10-13-26(14-11-17)23(28)9-12-25-24(29)30-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22,27H,9-16H2,(H,25,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 408.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 118385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).