N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

C14H21ClN2OS — CID 119271491

IUPACN-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCN(Cc1cccs1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-9-16(11-13-4-3-10-18-13)14(17)12-5-7-15-8-6-12;/h2-4,10,12,15H,1,5-9,11H2;1H
InChIKeyZQSPZQUZKNXQAG-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.68
Rot. Bonds5

About N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119271491) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119271491
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCN(Cc1cccs1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-9-16(11-13-4-3-10-18-13)14(17)12-5-7-15-8-6-12;/h2-4,10,12,15H,1,5-9,11H2;1H
InChIKeyZQSPZQUZKNXQAG-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
CID 4532052
1-(5-bromothiophen-2-yl)sulfonyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55372586
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
2-[2-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 60685130
N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 86984231
1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907626
1-(1,3-benzodioxol-5-yl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55581266
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119271491) is N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is C=CCN(Cc1cccs1)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZQSPZQUZKNXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-2-9-16(11-13-4-3-10-18-13)14(17)12-5-7-15-8-6-12;/h2-4,10,12,15H,1,5-9,11H2;1H.
What are the key properties of N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119271491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).