tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C33H41N3O5 — CID 167439525

IUPACtert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCCCN1C(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C33H41N3O5/c1-32(2,3)41-30(38)34-18-15-33(16-19-34)21-35(22-33)29(37)28-14-8-9-17-36(28)31(39)40-20-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h4-7,10-13,27-28H,8-9,14-22H2,1-3H3/t28-/m1/s1
InChIKeyISZOKRUVLIJBLM-MUUNZHRXSA-N
MW559.71 g/mol
LogP5.65
Rot. Bonds3

About tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 167439525) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID167439525
Molecular FormulaC33H41N3O5
Molecular Weight559.71 g/mol
Exact Mass559.30
IUPAC Nametert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCCCN1C(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C33H41N3O5/c1-32(2,3)41-30(38)34-18-15-33(16-19-34)21-35(22-33)29(37)28-14-8-9-17-36(28)31(39)40-20-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h4-7,10-13,27-28H,8-9,14-22H2,1-3H3/t28-/m1/s1
InChIKeyISZOKRUVLIJBLM-MUUNZHRXSA-N
XLogP5.65
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71305275
8-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 154776246
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 172915787
3-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-4-carboxylic acid
CID 17040140
tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate
CID 134358039
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 77431489
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
(2S,4R)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 175753630
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 167439525) is tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCCCN1C(=O)OCC1c3ccccc3-c3ccccc31)C2.
What is the InChIKey of tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ISZOKRUVLIJBLM-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H41N3O5/c1-32(2,3)41-30(38)34-18-15-33(16-19-34)21-35(22-33)29(37)28-14-8-9-17-36(28)31(39)40-20-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h4-7,10-13,27-28H,8-9,14-22H2,1-3H3/t28-/m1/s1.
What are the key properties of tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 559.71 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 167439525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).