tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate

C28H34N4O6 — CID 134358039

IUPACtert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H34N4O6/c1-28(2,3)38-27(36)32-15-9-8-14-23(32)25(34)31-30-24(33)16-29-26(35)37-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,22-23H,8-9,14-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)
InChIKeyREZSWKXTNNFCDN-UHFFFAOYSA-N
MW522.60 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 134358039) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate
PubChem CID134358039
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC Nametert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H34N4O6/c1-28(2,3)38-27(36)32-15-9-8-14-23(32)25(34)31-30-24(33)16-29-26(35)37-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,22-23H,8-9,14-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)
InChIKeyREZSWKXTNNFCDN-UHFFFAOYSA-N
XLogP3.46
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate 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

tert-butyl (2S)-2-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxo-1-(propan-2-ylamino)hexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 151307988
tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178118773
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl (2S)-2-[(2,6-dichlorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173160
(2S)-1-[(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 175834842
tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167439525
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175871850
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2R)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 163320962

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate (CID 134358039) is tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is REZSWKXTNNFCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-28(2,3)38-27(36)32-15-9-8-14-23(32)25(34)31-30-24(33)16-29-26(35)37-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,22-23H,8-9,14-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34).
What are the key properties of tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 522.60 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 134358039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).