N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride

C12H23ClN2O — CID 119330191

IUPACN-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
SMILESC=CCCCN(C)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-4-5-10-14(2)12(15)11-6-8-13-9-7-11;/h3,11,13H,1,4-10H2,2H3;1H
InChIKeyYBUGJSAJXOVOLY-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.83
Rot. Bonds5

About N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride

N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119330191) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
PubChem CID119330191
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
SMILESC=CCCCN(C)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-4-5-10-14(2)12(15)11-6-8-13-9-7-11;/h3,11,13H,1,4-10H2,2H3;1H
InChIKeyYBUGJSAJXOVOLY-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 141167486
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119340564
N-methyl-N-(piperidin-4-ylmethyl)pent-4-en-1-amine
CID 79716294
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43375315
2-(aminomethyl)-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
CID 115747690
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
CID 115753468

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride (CID 119330191) is N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride is C=CCCCN(C)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YBUGJSAJXOVOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-3-4-5-10-14(2)12(15)11-6-8-13-9-7-11;/h3,11,13H,1,4-10H2,2H3;1H.
What are the key properties of N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride?
N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119330191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).