N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide

C11H20BrN3O — CID 63253099

IUPACN-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(Br)CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C11H20BrN3O/c1-9(12)7-15-6-2-3-10(8-15)11(16)14-5-4-13/h10H,1-8,13H2,(H,14,16)
InChIKeyHEOCHFQIDWBVFS-UHFFFAOYSA-N
MW290.21 g/mol
LogP0.68
Rot. Bonds5

About N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide (PubChem CID 63253099) has the molecular formula C11H20BrN3O and a molecular weight of 290.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
PubChem CID63253099
Molecular FormulaC11H20BrN3O
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC NameN-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(Br)CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C11H20BrN3O/c1-9(12)7-15-6-2-3-10(8-15)11(16)14-5-4-13/h10H,1-8,13H2,(H,14,16)
InChIKeyHEOCHFQIDWBVFS-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119917165
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
CID 63253060
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide (CID 63253099) is N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide is C=C(Br)CN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide?
The InChIKey is HEOCHFQIDWBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-9(12)7-15-6-2-3-10(8-15)11(16)14-5-4-13/h10H,1-8,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide has a molecular weight of 290.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 63253099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).