tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate

C20H30N2O2 — CID 170491259

IUPACtert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-13-5-4-6-16-7-9-17(10-8-16)18-11-14-21-15-12-18/h4,6-10,18,21H,5,11-15H2,1-3H3,(H,22,23)
InChIKeyAYRKKRXMZSIVOL-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.08
Rot. Bonds5

About tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate

tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate (PubChem CID 170491259) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate
PubChem CID170491259
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-13-5-4-6-16-7-9-17(10-8-16)18-11-14-21-15-12-18/h4,6-10,18,21H,5,11-15H2,1-3H3,(H,22,23)
InChIKeyAYRKKRXMZSIVOL-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(4-piperidin-4-ylphenyl)but-3-enyl] ethanethioate
CID 170480914
tert-butyl N-[4-[4-(2-hydroxyethyl)phenyl]but-3-enyl]carbamate
CID 170490376
tert-butyl N-[4-[4-(cyanomethyl)phenyl]but-3-enyl]carbamate
CID 170490487
2-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170490735
tert-butyl N-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557
tert-butyl N-[4-(3-chloro-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170490032
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzene-1,3-dicarboxylic acid
CID 170491283
tert-butyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170490014
tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
CID 170491424
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856
tert-butyl N-[4-(4-fluoro-3-methoxyphenyl)but-3-enyl]carbamate
CID 170490332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate (CID 170491259) is tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1ccc(C2CCNCC2)cc1.
What is the InChIKey of tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate?
The InChIKey is AYRKKRXMZSIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-13-5-4-6-16-7-9-17(10-8-16)18-11-14-21-15-12-18/h4,6-10,18,21H,5,11-15H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate?
tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-piperidin-4-ylphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170491259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).