N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide

C12H21BrN2O — CID 115738676

IUPACN-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
SMILESC=C(Br)CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C12H21BrN2O/c1-9(11-4-3-5-14-8-11)6-12(16)15-7-10(2)13/h9,11,14H,2-8H2,1H3,(H,15,16)
InChIKeyZLBBMFHYKRAMDI-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.04
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide

N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide (PubChem CID 115738676) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
PubChem CID115738676
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC NameN-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
SMILESC=C(Br)CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C12H21BrN2O/c1-9(11-4-3-5-14-8-11)6-12(16)15-7-10(2)13/h9,11,14H,2-8H2,1H3,(H,15,16)
InChIKeyZLBBMFHYKRAMDI-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide (CID 115738676) is N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide is C=C(Br)CNC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide?
The InChIKey is ZLBBMFHYKRAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-9(11-4-3-5-14-8-11)6-12(16)15-7-10(2)13/h9,11,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide?
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide has a molecular weight of 289.22 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 115738676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).