(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride

C9H16BrClN2O — CID 119755042

IUPAC(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C9H15BrN2O.ClH/c1-7(10)6-12-9(13)8-4-2-3-5-11-8;/h8,11H,1-6H2,(H,12,13);1H/t8-;/m0./s1
InChIKeyZQSGNFFRHZYROE-QRPNPIFTSA-N
MW283.60 g/mol
LogP1.58
Rot. Bonds3

About (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119755042) has the molecular formula C9H16BrClN2O and a molecular weight of 283.60 g/mol. Its IUPAC name is (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119755042
Molecular FormulaC9H16BrClN2O
Molecular Weight283.60 g/mol
Exact Mass282.01
IUPAC Name(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C9H15BrN2O.ClH/c1-7(10)6-12-9(13)8-4-2-3-5-11-8;/h8,11H,1-6H2,(H,12,13);1H/t8-;/m0./s1
InChIKeyZQSGNFFRHZYROE-QRPNPIFTSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
N-[2-(cyclopropylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 43515304
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
CID 131107148
(2S)-N-(2-cyclohexyl-2-oxoethyl)pyrrolidine-2-carboxamide
CID 141027681
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043
(2R)-N-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 113266443
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943
N-[2-oxo-2-(propylamino)ethyl]piperidine-2-carboxamide
CID 43516914
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride (CID 119755042) is (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride is C=C(Br)CNC(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZQSGNFFRHZYROE-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H15BrN2O.ClH/c1-7(10)6-12-9(13)8-4-2-3-5-11-8;/h8,11H,1-6H2,(H,12,13);1H/t8-;/m0./s1.
What are the key properties of (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 283.60 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119755042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).