tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate

C15H29N3O2 — CID 107252674

IUPACtert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate
SMILESCN1CCC(NC/C=C/CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-10-6-5-9-16-13-7-11-18(4)12-8-13/h5-6,13,16H,7-12H2,1-4H3,(H,17,19)/b6-5+
InChIKeyMEXNBMWCBULDNC-AATRIKPKSA-N
MW283.42 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate

tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate (PubChem CID 107252674) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate
PubChem CID107252674
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate
SMILESCN1CCC(NC/C=C/CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-10-6-5-9-16-13-7-11-18(4)12-8-13/h5-6,13,16H,7-12H2,1-4H3,(H,17,19)/b6-5+
InChIKeyMEXNBMWCBULDNC-AATRIKPKSA-N
XLogP1.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
tert-butyl N-[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enyl]carbamate
CID 99799409
tert-butyl N-[(E)-4-(thiolan-3-ylamino)but-2-enyl]carbamate
CID 107253019
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
tert-butyl N-[(E)-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]but-2-enyl]carbamate
CID 107253085
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 107444815
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate (CID 107252674) is tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate is CN1CCC(NC/C=C/CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate?
The InChIKey is MEXNBMWCBULDNC-AATRIKPKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-10-6-5-9-16-13-7-11-18(4)12-8-13/h5-6,13,16H,7-12H2,1-4H3,(H,17,19)/b6-5+.
What are the key properties of tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate?
tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate has a molecular weight of 283.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate is sourced from PubChem (CID 107252674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).