tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate

C16H30N2O2 — CID 84812476

IUPACtert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNCCC1C1CCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-13-10-17-9-8-14(13)12-6-4-5-7-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyZPTZSIVXZAVSSF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate

tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate (PubChem CID 84812476) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
PubChem CID84812476
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNCCC1C1CCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-13-10-17-9-8-14(13)12-6-4-5-7-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyZPTZSIVXZAVSSF-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate
CID 84815710
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
CID 18939323
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-(4-cyclohexylpyrrolidin-3-yl)carbamate
CID 18939351
tert-butyl N-[(3S,4R)-4-cyclohexylpyrrolidin-3-yl]carbamate
CID 129387241
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate (CID 84812476) is tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CNCCC1C1CCCC1.
What is the InChIKey of tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate?
The InChIKey is ZPTZSIVXZAVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-13-10-17-9-8-14(13)12-6-4-5-7-12/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate?
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate is sourced from PubChem (CID 84812476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).