2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate

C28H56N2O2S — CID 21260148

IUPAC2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
SMILESCCCCCCCCCCSCCCCCCCCCCNC(=O)OCCN1CCCCC1
InChIInChI=1S/C28H56N2O2S/c1-2-3-4-5-6-10-13-19-26-33-27-20-14-11-8-7-9-12-16-21-29-28(31)32-25-24-30-22-17-15-18-23-30/h2-27H2,1H3,(H,29,31)
InChIKeyNZBMFCCKDIXPBA-UHFFFAOYSA-N
MW484.84 g/mol
LogP8.19
Rot. Bonds23

About 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate

2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate (PubChem CID 21260148) has the molecular formula C28H56N2O2S and a molecular weight of 484.84 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
PubChem CID21260148
Molecular FormulaC28H56N2O2S
Molecular Weight484.84 g/mol
Exact Mass484.41
IUPAC Name2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
SMILESCCCCCCCCCCSCCCCCCCCCCNC(=O)OCCN1CCCCC1
InChIInChI=1S/C28H56N2O2S/c1-2-3-4-5-6-10-13-19-26-33-27-20-14-11-8-7-9-12-16-21-29-28(31)32-25-24-30-22-17-15-18-23-30/h2-27H2,1H3,(H,29,31)
InChIKeyNZBMFCCKDIXPBA-UHFFFAOYSA-N
XLogP8.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
CID 15724510
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
2-[2-(butylcarbamoyloxy)ethyl-(2-piperidin-1-ylethyl)amino]ethyl N-butylcarbamate;dihydrochloride
CID 67933469
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate (CID 21260148) is 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate is CCCCCCCCCCSCCCCCCCCCCNC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate?
The InChIKey is NZBMFCCKDIXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O2S/c1-2-3-4-5-6-10-13-19-26-33-27-20-14-11-8-7-9-12-16-21-29-28(31)32-25-24-30-22-17-15-18-23-30/h2-27H2,1H3,(H,29,31).
What are the key properties of 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate?
2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate has a molecular weight of 484.84 g/mol, XLogP of 8.19, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate is sourced from PubChem (CID 21260148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).