tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate

C18H34N2O2 — CID 112544603

IUPACtert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)C1CC(NC(=O)OC(C)(C)C)CN(C2CCCC2)C1
InChIInChI=1S/C18H34N2O2/c1-13(2)14-10-15(19-17(21)22-18(3,4)5)12-20(11-14)16-8-6-7-9-16/h13-16H,6-12H2,1-5H3,(H,19,21)
InChIKeyFWCBRFJOPCVMTI-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate

tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 112544603) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID112544603
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)C1CC(NC(=O)OC(C)(C)C)CN(C2CCCC2)C1
InChIInChI=1S/C18H34N2O2/c1-13(2)14-10-15(19-17(21)22-18(3,4)5)12-20(11-14)16-8-6-7-9-16/h13-16H,6-12H2,1-5H3,(H,19,21)
InChIKeyFWCBRFJOPCVMTI-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
N-(1-cyclopropyl-5-propan-2-ylpiperidin-3-yl)-2-methylpropanamide
CID 112542811
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544633
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542393
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
CID 58235997
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate (CID 112544603) is tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate is CC(C)C1CC(NC(=O)OC(C)(C)C)CN(C2CCCC2)C1.
What is the InChIKey of tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is FWCBRFJOPCVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)14-10-15(19-17(21)22-18(3,4)5)12-20(11-14)16-8-6-7-9-16/h13-16H,6-12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112544603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).