tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate

C20H28N2O2 — CID 142594147

IUPACtert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
SMILESCc1c[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c12
InChIInChI=1S/C20H28N2O2/c1-13-12-21-17-7-6-16(14(2)18(13)17)15-8-10-22(11-9-15)19(23)24-20(3,4)5/h6-7,12,15,21H,8-11H2,1-5H3
InChIKeyFTFYDPGRFKWQKM-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.90
Rot. Bonds1

About tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate (PubChem CID 142594147) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
PubChem CID142594147
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
SMILESCc1c[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c12
InChIInChI=1S/C20H28N2O2/c1-13-12-21-17-7-6-16(14(2)18(13)17)15-8-10-22(11-9-15)19(23)24-20(3,4)5/h6-7,12,15,21H,8-11H2,1-5H3
InChIKeyFTFYDPGRFKWQKM-UHFFFAOYSA-N
XLogP4.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
tert-butyl 4-[5-(3,4-difluoroanilino)-1H-indol-3-yl]piperidine-1-carboxylate
CID 123163284
tert-butyl 4-(4-bromo-3-methyl-1H-pyrrol-2-yl)piperidine-1-carboxylate
CID 175068445
tert-butyl 4-[5-[(S)-chloro(cyclopropyl)methyl]-1H-indol-3-yl]piperidine-1-carboxylate
CID 139510374
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate
CID 130367085
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate (CID 142594147) is tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate is Cc1c[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c12.
What is the InChIKey of tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate?
The InChIKey is FTFYDPGRFKWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-12-21-17-7-6-16(14(2)18(13)17)15-8-10-22(11-9-15)19(23)24-20(3,4)5/h6-7,12,15,21H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 142594147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).