tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate

C25H32FN3O3 — CID 156888438

IUPACtert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1
InChIInChI=1S/C25H32FN3O3/c1-24(2,3)32-23(31)29-10-4-5-14(13-29)19-17(26)11-15(22(27)30)21-20(19)16-12-25(8-9-25)7-6-18(16)28-21/h11,14,28H,4-10,12-13H2,1-3H3,(H2,27,30)
InChIKeyIGTMIWIODHQVQW-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.79
Rot. Bonds2

About tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate

tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate (PubChem CID 156888438) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate
PubChem CID156888438
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Nametert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1
InChIInChI=1S/C25H32FN3O3/c1-24(2,3)32-23(31)29-10-4-5-14(13-29)19-17(26)11-15(22(27)30)21-20(19)16-12-25(8-9-25)7-6-18(16)28-21/h11,14,28H,4-10,12-13H2,1-3H3,(H2,27,30)
InChIKeyIGTMIWIODHQVQW-UHFFFAOYSA-N
XLogP4.79
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-(2,6-difluoro-4-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 178074096
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CID 168842087
tert-butyl (3R)-3-(2,3,6-trifluorophenyl)pyrrolidine-1-carboxylate
CID 174955976
tert-butyl 3-(diaminomethylideneamino)piperidine-1-carboxylate;hydrochloride
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tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl 3-(5-chloro-2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 169498666
7-fluoro-8-[(3S)-3-(methylamino)piperidin-1-yl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide;hydrochloride
CID 162693519
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl 3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618105
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate (CID 156888438) is tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1.
What is the InChIKey of tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate?
The InChIKey is IGTMIWIODHQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-24(2,3)32-23(31)29-10-4-5-14(13-29)19-17(26)11-15(22(27)30)21-20(19)16-12-25(8-9-25)7-6-18(16)28-21/h11,14,28H,4-10,12-13H2,1-3H3,(H2,27,30).
What are the key properties of tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate?
tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate has a molecular weight of 441.55 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-carbamoyl-3-fluorospiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156888438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).