9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate

C26H29N3O4 — CID 152674545

IUPAC9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate
SMILESO=C(NCCC[C@@H]1NC(=O)C2(CCCC2)NC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29N3O4/c30-23-22(28-24(31)26(29-23)13-5-6-14-26)12-7-15-27-25(32)33-16-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,21-22H,5-7,12-16H2,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyZMGHXODEFLGKHA-QFIPXVFZSA-N
MW447.54 g/mol
LogP3.23
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate (PubChem CID 152674545) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate
PubChem CID152674545
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate
SMILESO=C(NCCC[C@@H]1NC(=O)C2(CCCC2)NC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29N3O4/c30-23-22(28-24(31)26(29-23)13-5-6-14-26)12-7-15-27-25(32)33-16-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,21-22H,5-7,12-16H2,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyZMGHXODEFLGKHA-QFIPXVFZSA-N
XLogP3.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,5R)-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 171639812
benzyl N-[3-[(3S)-2,5-dioxo-9-(2-phenylethyl)-1,4,9-triazaspiro[5.5]undecan-3-yl]propyl]carbamate;hydrochloride
CID 21064406
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
2-[(2S,5S)-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-4-methyl-6-oxopiperazin-2-yl]acetic acid
CID 59445953
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate (CID 152674545) is 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate is O=C(NCCC[C@@H]1NC(=O)C2(CCCC2)NC1=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate?
The InChIKey is ZMGHXODEFLGKHA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-23-22(28-24(31)26(29-23)13-5-6-14-26)12-7-15-27-25(32)33-16-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,21-22H,5-7,12-16H2,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate has a molecular weight of 447.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[(8S)-7,10-dioxo-6,9-diazaspiro[4.5]decan-8-yl]propyl]carbamate is sourced from PubChem (CID 152674545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).