tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate

C24H35N3O2 — CID 139447760

IUPACtert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3cc(N)n(C4CCCCC4)c3c2)CC1
InChIInChI=1S/C24H35N3O2/c1-24(2,3)29-23(28)26-13-11-17(12-14-26)18-9-10-19-16-22(25)27(21(19)15-18)20-7-5-4-6-8-20/h9-10,15-17,20H,4-8,11-14,25H2,1-3H3
InChIKeyOPYRYFPOFCDCCN-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.84
Rot. Bonds2

About tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate

tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate (PubChem CID 139447760) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate
PubChem CID139447760
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Nametert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3cc(N)n(C4CCCCC4)c3c2)CC1
InChIInChI=1S/C24H35N3O2/c1-24(2,3)29-23(28)26-13-11-17(12-14-26)18-9-10-19-16-22(25)27(21(19)15-18)20-7-5-4-6-8-20/h9-10,15-17,20H,4-8,11-14,25H2,1-3H3
InChIKeyOPYRYFPOFCDCCN-UHFFFAOYSA-N
XLogP5.84
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
CID 156708848
tert-butyl 4-[4-amino-3-(cyclohepten-1-yl)phenyl]piperidine-1-carboxylate
CID 58694589
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxylate
CID 22048588
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate
CID 172644335
tert-butyl 4-[3-methyl-2-oxo-1-(2-oxoazepan-3-yl)benzimidazol-5-yl]piperidine-1-carboxylate
CID 171844058
tert-butyl 4-[3-amino-4-(3-methylpiperidin-1-yl)phenyl]piperidine-1-carboxylate
CID 169488617

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate (CID 139447760) is tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc3cc(N)n(C4CCCCC4)c3c2)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate?
The InChIKey is OPYRYFPOFCDCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-24(2,3)29-23(28)26-13-11-17(12-14-26)18-9-10-19-16-22(25)27(21(19)15-18)20-7-5-4-6-8-20/h9-10,15-17,20H,4-8,11-14,25H2,1-3H3.
What are the key properties of tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate has a molecular weight of 397.56 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 139447760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).