tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate

C16H32N2O2 — CID 11832975

IUPACtert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CN1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)11-14(12-18-9-7-6-8-10-18)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyBTGFHVFIZXPXCW-AWEZNQCLSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate

tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate (PubChem CID 11832975) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
PubChem CID11832975
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CN1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)11-14(12-18-9-7-6-8-10-18)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyBTGFHVFIZXPXCW-AWEZNQCLSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate
CID 140998051
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 101375813
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
CID 10805236
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid
CID 139534274
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate (CID 11832975) is tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate is CC(C)C[C@@H](CN1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate?
The InChIKey is BTGFHVFIZXPXCW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)11-14(12-18-9-7-6-8-10-18)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate is sourced from PubChem (CID 11832975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).