tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate

C25H48N2O3 — CID 167356860

IUPACtert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate
SMILESCCCCCCCCCCCCCCCN1C[C@@H](NC(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C25H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-22(18-19-23(27)28)26-24(29)30-25(2,3)4/h22H,5-21H2,1-4H3,(H,26,29)/t22-/m0/s1
InChIKeyVPENCCLYJRYTHJ-QFIPXVFZSA-N
MW424.67 g/mol
LogP6.59
Rot. Bonds15

About tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate

tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate (PubChem CID 167356860) has the molecular formula C25H48N2O3 and a molecular weight of 424.67 g/mol. Its IUPAC name is tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate
PubChem CID167356860
Molecular FormulaC25H48N2O3
Molecular Weight424.67 g/mol
Exact Mass424.37
IUPAC Nametert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate
SMILESCCCCCCCCCCCCCCCN1C[C@@H](NC(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C25H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-22(18-19-23(27)28)26-24(29)30-25(2,3)4/h22H,5-21H2,1-4H3,(H,26,29)/t22-/m0/s1
InChIKeyVPENCCLYJRYTHJ-QFIPXVFZSA-N
XLogP6.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
CID 167356479
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[1-[(4-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]carbamate;tert-butyl N-[1-[(4-methoxyphenyl)methyl]-6-sulfanylidenepiperidin-3-yl]carbamate
CID 159316306
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]octanoic acid
CID 155121150
5-amino-1-dodecylpiperidin-2-one
CID 64977984
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
tert-butyl N-[(3R,4R)-2-oxo-4-undecylazetidin-3-yl]carbamate
CID 122221251
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate (CID 167356860) is tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate is CCCCCCCCCCCCCCCN1C[C@@H](NC(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate?
The InChIKey is VPENCCLYJRYTHJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-22(18-19-23(27)28)26-24(29)30-25(2,3)4/h22H,5-21H2,1-4H3,(H,26,29)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate has a molecular weight of 424.67 g/mol, XLogP of 6.59, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate is sourced from PubChem (CID 167356860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).