N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride

C11H22ClN3O — CID 119916925

IUPACN-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCN1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-2-7-14-8-3-4-10(9-14)11(15)13-6-5-12;/h2,10H,1,3-9,12H2,(H,13,15);1H
InChIKeyQLRUNNAYYLTEBO-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.38
Rot. Bonds5

About N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119916925) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
PubChem CID119916925
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC NameN-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCN1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-2-7-14-8-3-4-10(9-14)11(15)13-6-5-12;/h2,10H,1,3-9,12H2,(H,13,15);1H
InChIKeyQLRUNNAYYLTEBO-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride (CID 119916925) is N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride is C=CCN1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QLRUNNAYYLTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-2-7-14-8-3-4-10(9-14)11(15)13-6-5-12;/h2,10H,1,3-9,12H2,(H,13,15);1H.
What are the key properties of N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.38, 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-prop-2-enylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).